 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer04_STD_LCPBE_augccpVDZ.in
 Output=30_ibuprofen_conformer04_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/Gau-43377.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     43379.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                29-Sep-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=48GB
 %chk=30_ibuprofen_conformer04_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep 29 11:53:45 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "30_ibuprofen_conformer04_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.634600000000     -0.289354000000     -1.230513000000
  C                                                 1.477234000000     -0.735999000000     -0.213732000000
  C                                                -0.739449000000     -0.216152000000     -1.047711000000
  C                                                -1.314029000000     -0.589385000000      0.165609000000
  C                                                -0.477653000000     -1.033716000000      1.186048000000
  C                                                 0.895358000000     -1.109311000000      0.997103000000
  C                                                 2.970726000000     -0.778602000000     -0.392123000000
  C                                                 3.716610000000      0.371103000000      0.313667000000
  C                                                 3.299110000000      1.735765000000     -0.230808000000
  C                                                 5.226988000000      0.171727000000      0.198605000000
  C                                                -2.819930000000     -0.538917000000      0.366414000000
  C                                                -3.298609000000      0.879642000000      0.123443000000
  O                                                -3.719796000000      1.311520000000     -0.918273000000
  O                                                -3.170806000000      1.648102000000      1.229132000000
  H                                                 1.061897000000      0.009379000000     -2.180173000000
  H                                                -1.369308000000      0.143045000000     -1.851768000000
  H                                                -0.905706000000     -1.326876000000      2.137119000000
  H                                                 1.525155000000     -1.464620000000      1.804458000000
  H                                                 3.213870000000     -0.750950000000     -1.458443000000
  H                                                 3.354890000000     -1.727657000000     -0.007445000000
  H                                                 3.446407000000      0.332999000000      1.374915000000
  H                                                 2.227360000000      1.901968000000     -0.119193000000
  H                                                 3.541664000000      1.816780000000     -1.294470000000
  H                                                 3.822320000000      2.539192000000      0.291263000000
  H                                                 5.541448000000      0.194608000000     -0.848580000000
  H                                                 5.535582000000     -0.788131000000      0.618372000000
  H                                                 5.769492000000      0.959785000000      0.724559000000
  H                                                -3.021671000000     -0.770261000000      1.413061000000
  C                                                -3.561205000000     -1.527762000000     -0.535197000000
  H                                                -3.444471000000      2.545855000000      0.983186000000
  H                                                -4.634564000000     -1.503266000000     -0.342117000000
  H                                                -3.194719000000     -2.537711000000     -0.351766000000
  H                                                -3.403343000000     -1.285337000000     -1.584678000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep 29 11:53:45 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394047   0.000000
     3  C    1.388087   2.424757   0.000000
     4  C    2.415850   2.820735   1.393410   0.000000
     5  C    2.762417   2.422726   2.393037   1.392211   0.000000
     6  C    2.388011   1.394297   2.766151   2.417250   1.388011
     7  C    2.529772   1.504712   3.809402   4.325043   3.800924
     8  C    3.509912   2.553161   4.696241   5.123650   4.508482
     9  C    3.492869   3.070691   4.559306   5.181170   4.893000
    10  C    4.831667   3.880031   6.107546   6.585232   5.913634
    11  C    3.813953   4.340625   2.536203   1.520068   2.530393
    12  C    4.320866   5.052985   3.020210   2.469489   3.570415
    13  O    4.649845   5.630083   3.351567   3.252069   4.521039
    14  O    4.927951   5.419416   3.817192   3.095973   3.800931
    15  H    1.083364   2.143591   2.139669   3.392084   3.845739
    16  H    2.142096   3.399806   1.082706   2.146933   3.377594
    17  H    3.845769   3.399123   3.377054   2.144172   1.083378
    18  H    3.374224   2.146224   3.849931   3.393056   2.139941
    19  H    2.630144   2.136688   4.010417   4.813057   4.549795
    20  H    3.311282   2.133432   4.486693   4.808785   4.073618
    21  H    3.883534   2.746670   4.867450   4.997496   4.159547
    22  H    2.928107   2.744175   3.761720   4.339284   4.199880
    23  H    3.590392   3.456378   4.745696   5.612416   5.516630
    24  H    4.525266   4.059720   5.494953   6.015469   5.661809
    25  H    4.945427   4.217451   6.297463   6.974295   6.471327
    26  H    5.261823   4.143103   6.517592   6.867435   6.044962
    27  H    5.634693   4.709517   6.847633   7.272456   6.573723
    28  H    4.537408   4.784117   3.401613   2.122474   2.567678
    29  C    4.429661   5.110391   3.153617   2.534064   3.565818
    30  H    5.438538   6.035425   4.366963   3.877750   4.653653
    31  H    5.479682   6.161108   4.162505   3.481223   4.453726
    32  H    4.526697   5.009228   3.449975   2.756927   3.465447
    33  H    4.174015   5.099147   2.920243   2.813021   4.037313
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519220   0.000000
     8  C    3.258554   1.541527   0.000000
     9  C    3.921766   2.540846   1.527436   0.000000
    10  C    4.587121   2.518492   1.527819   2.519390   0.000000
    11  C    3.811362   5.845043   6.599793   6.555418   8.079979
    12  C    4.723195   6.505393   7.036199   6.662457   8.555267
    13  O    5.552363   7.029120   7.596196   7.065241   9.087986
    14  O    4.918420   6.799689   7.064368   6.633168   8.588633
    15  H    3.372578   2.731605   3.660271   3.433010   4.799263
    16  H    3.848789   4.670749   5.532421   5.192147   6.907675
    17  H    2.142616   4.660944   5.251087   5.715534   6.604058
    18  H    1.083841   2.717584   3.224099   4.187086   4.354304
    19  H    3.396119   1.094039   2.156878   2.774546   2.765824
    20  H    2.727777   1.093739   2.153775   3.471065   2.674858
    21  H    2.954801   2.141110   1.095769   2.137240   2.140136
    22  H    3.476801   2.795092   2.179170   1.090289   3.477427
    23  H    4.562483   2.806458   2.169491   1.093971   2.788510
    24  H    4.730422   3.492848   2.170780   1.091697   2.754373
    25  H    5.166517   2.786414   2.170715   2.790141   1.093620
    26  H    4.666720   2.756751   2.178377   3.477494   1.092136
    27  H    5.302134   3.478801   2.174788   2.760011   1.091775
    28  H    3.953618   6.258401   6.922125   6.995337   8.390627
    29  C    4.731173   6.576308   7.569204   7.603104   8.981039
    30  H    5.674024   7.355151   7.513913   6.899704   9.024758
    31  H    5.703398   7.639900   8.584021   8.570116  10.017394
    32  H    4.537456   6.411615   7.527979   7.774770   8.863922
    33  H    5.017510   6.504439   7.552565   7.475486   8.932287
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516733   0.000000
    13  O    2.425757   1.203781   0.000000
    14  O    2.377067   1.352558   2.241880   0.000000
    15  H    4.674860   5.007796   5.113956   5.676667   0.000000
    16  H    2.736733   2.857663   2.785954   3.873311   2.456924
    17  H    2.724065   3.827479   4.920941   3.847806   4.929102
    18  H    4.669546   5.620505   6.529145   5.663222   4.273706
    19  H    6.307282   6.897360   7.254053   7.330934   2.393738
    20  H    6.299308   7.147320   7.753540   7.450475   3.604977
    21  H    6.406582   6.881878   7.587535   6.748204   4.292932
    22  H    5.627510   5.624976   6.029579   5.569796   3.031144
    23  H    6.984105   7.048265   7.288732   7.173163   3.193808
    24  H    7.321194   7.313679   7.736515   7.111783   4.486411
    25  H    8.480973   8.919681   9.328611   9.073748   4.676946
    26  H    8.363024   9.003852   9.614148   9.061427   5.336828
    27  H    8.726543   9.088356   9.636867   8.980941   5.612681
    28  H    1.090729   2.112342   3.202547   2.429928   5.494970
    29  C    1.529773   2.509653   2.869394   3.653954   5.142161
    30  H    3.207223   1.880611   2.283623   0.970228   6.062005
    31  H    2.173679   2.771240   3.015257   3.813467   6.173833
    32  H    2.156717   3.451799   3.925967   4.474465   5.286731
    33  H    2.168934   2.759670   2.699612   4.071445   4.687139
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276308   0.000000
    18  H    4.932595   2.457381   0.000000
    19  H    4.686091   5.498242   3.742674   0.000000
    20  H    5.405469   4.786696   2.588457   1.754776   0.000000
    21  H    5.799886   4.719855   2.665924   3.042521   2.483062
    22  H    4.362528   5.033138   3.940487   3.131256   3.802366
    23  H    5.218200   6.437195   4.943405   2.593757   3.775494
    24  H    6.106317   6.380274   4.857699   3.775807   4.302757
    25  H    6.983380   7.266024   5.091391   2.585272   3.030453
    26  H    7.392306   6.639806   4.236504   3.115267   2.455560
    27  H    7.633282   7.196000   5.005828   3.771381   3.686255
    28  H    3.771411   2.304645   4.616162   6.864975   6.602649
    29  C    3.054401   3.772705   5.599020   6.881676   6.939081
    30  H    4.256379   4.772309   6.438601   7.820740   8.091697
    31  H    3.956170   4.481306   6.523145   7.963045   7.999608
    32  H    3.573316   3.591692   5.298871   6.744424   6.608489
    33  H    2.499782   4.482375   5.984019   6.639956   6.953921
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485980   0.000000
    23  H    3.055535   1.765199   0.000000
    24  H    2.486544   1.765907   1.764992   0.000000
    25  H    3.058150   3.798719   2.613311   3.122774   0.000000
    26  H    2.488763   4.327236   3.797398   3.756773   1.765718
    27  H    2.492498   3.761160   3.126361   2.544357   1.764162
    28  H    6.561606   6.086127   7.556512   7.684473   8.909153
    29  C    7.497839   6.741186   7.887535   8.469923   9.269469
    30  H    7.248061   5.813733   7.384128   7.299661   9.467337
    31  H    8.462988   7.663636   8.875832   9.394760  10.329109
    32  H    7.438209   7.011689   8.076456   8.684887   9.166952
    33  H    7.635265   6.634107   7.611864   8.387871   9.096228
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766692   0.000000
    28  H    8.594093   8.986192   0.000000
    29  C    9.199419   9.738418   2.158846   0.000000
    30  H    9.585922   9.353054   3.370486   4.348962   0.000000
    31  H   10.240402  10.744710   2.493866   1.090862   4.423588
    32  H    8.956582   9.682357   2.503685   1.089934   5.261855
    33  H    9.219817   9.721834   3.065520   1.088623   4.612337
                   31         32         33
    31  H    0.000000
    32  H    1.772942   0.000000
    33  H    1.762769   1.769756   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3505362           0.2618989           0.2490697
 Leave Link  202 at Wed Sep 29 11:53:45 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       973.0890188818 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep 29 11:53:47 2021, MaxMem=  6442450944 cpu:              13.8 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.57D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep 29 11:53:48 2021, MaxMem=  6442450944 cpu:               7.8 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep 29 11:53:49 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer04_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep 29 11:53:50 2021, MaxMem=  6442450944 cpu:               8.3 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -654.795635409561    
 DIIS: error= 2.50D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -654.795635409561     IErMin= 1 ErrMin= 2.50D-03
 ErrMax= 2.50D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-02 BMatP= 1.56D-02
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.50D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.354 Goal=   None    Shift=    0.000
 GapD=    0.354 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.66D-02 MaxDP=7.08D+00              OVMax= 1.60D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.88D-02    CP:  1.82D+00
 E= -654.809612078026     Delta-E=       -0.013976668464 Rises=F Damp=F
 DIIS: error= 1.21D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -654.809612078026     IErMin= 2 ErrMin= 1.21D-03
 ErrMax= 1.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-03 BMatP= 1.56D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.21D-02
 Coeff-Com:  0.152D+00 0.848D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.150D+00 0.850D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=8.22D-03 MaxDP=1.04D+00 DE=-1.40D-02 OVMax= 1.32D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.36D-03    CP:  1.94D+00  1.14D+00
 E= -654.809767399767     Delta-E=       -0.000155321742 Rises=F Damp=F
 DIIS: error= 1.23D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -654.809767399767     IErMin= 2 ErrMin= 1.21D-03
 ErrMax= 1.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-03 BMatP= 2.33D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.23D-02
 Coeff-Com: -0.264D-01 0.505D+00 0.521D+00
 Coeff-En:   0.000D+00 0.478D+00 0.522D+00
 Coeff:     -0.261D-01 0.505D+00 0.521D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.33D-03 MaxDP=2.85D-01 DE=-1.55D-04 OVMax= 7.24D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.41D-04    CP:  1.98D+00  1.18D+00  1.15D+00
 E= -654.811353425815     Delta-E=       -0.001586026047 Rises=F Damp=F
 DIIS: error= 1.59D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -654.811353425815     IErMin= 4 ErrMin= 1.59D-04
 ErrMax= 1.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.88D-05 BMatP= 2.30D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.59D-03
 Coeff-Com: -0.151D-01 0.182D+00 0.226D+00 0.608D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.151D-01 0.181D+00 0.226D+00 0.608D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.80D-04 MaxDP=4.69D-02 DE=-1.59D-03 OVMax= 2.35D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.22D-05    CP:  1.98D+00  1.19D+00  1.20D+00  1.04D+00
 E= -654.811383827950     Delta-E=       -0.000030402135 Rises=F Damp=F
 DIIS: error= 9.07D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -654.811383827950     IErMin= 5 ErrMin= 9.07D-05
 ErrMax= 9.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-05 BMatP= 4.88D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.175D-02-0.251D-01 0.323D-03 0.356D+00 0.671D+00
 Coeff:     -0.175D-02-0.251D-01 0.323D-03 0.356D+00 0.671D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.22D-04 MaxDP=2.77D-02 DE=-3.04D-05 OVMax= 7.44D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.13D-05    CP:  1.98D+00  1.19D+00  1.24D+00  1.11D+00  1.35D+00
 E= -654.811393846801     Delta-E=       -0.000010018852 Rises=F Damp=F
 DIIS: error= 1.33D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -654.811393846801     IErMin= 6 ErrMin= 1.33D-05
 ErrMax= 1.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.27D-07 BMatP= 1.33D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.370D-03-0.238D-01-0.160D-01 0.106D+00 0.274D+00 0.660D+00
 Coeff:      0.370D-03-0.238D-01-0.160D-01 0.106D+00 0.274D+00 0.660D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.35D-05 MaxDP=2.52D-03 DE=-1.00D-05 OVMax= 1.51D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.17D-05    CP:  1.98D+00  1.19D+00  1.25D+00  1.12D+00  1.36D+00
                    CP:  1.20D+00
 E= -654.811394347804     Delta-E=       -0.000000501003 Rises=F Damp=F
 DIIS: error= 3.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -654.811394347804     IErMin= 7 ErrMin= 3.46D-06
 ErrMax= 3.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.62D-08 BMatP= 5.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.327D-03-0.534D-02-0.512D-02 0.177D-03 0.223D-01 0.220D+00
 Coeff-Com:  0.767D+00
 Coeff:      0.327D-03-0.534D-02-0.512D-02 0.177D-03 0.223D-01 0.220D+00
 Coeff:      0.767D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.12D-05 MaxDP=1.12D-03 DE=-5.01D-07 OVMax= 7.25D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.59D-06    CP:  1.98D+00  1.19D+00  1.25D+00  1.12D+00  1.41D+00
                    CP:  1.28D+00  1.12D+00
 E= -654.811394391090     Delta-E=       -0.000000043286 Rises=F Damp=F
 DIIS: error= 1.44D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -654.811394391090     IErMin= 8 ErrMin= 1.44D-06
 ErrMax= 1.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.91D-09 BMatP= 3.62D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-03-0.339D-03-0.847D-03-0.804D-02-0.127D-01 0.364D-01
 Coeff-Com:  0.314D+00 0.672D+00
 Coeff:      0.106D-03-0.339D-03-0.847D-03-0.804D-02-0.127D-01 0.364D-01
 Coeff:      0.314D+00 0.672D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=4.41D-06 MaxDP=6.11D-04 DE=-4.33D-08 OVMax= 3.19D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.58D-06    CP:  1.98D+00  1.19D+00  1.25D+00  1.13D+00  1.41D+00
                    CP:  1.31D+00  1.16D+00  1.09D+00
 E= -654.811394396862     Delta-E=       -0.000000005772 Rises=F Damp=F
 DIIS: error= 5.86D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -654.811394396862     IErMin= 9 ErrMin= 5.86D-07
 ErrMax= 5.86D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.05D-10 BMatP= 4.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.115D-04 0.776D-03 0.521D-03-0.376D-02-0.102D-01-0.229D-01
 Coeff-Com:  0.103D-01 0.303D+00 0.723D+00
 Coeff:     -0.115D-04 0.776D-03 0.521D-03-0.376D-02-0.102D-01-0.229D-01
 Coeff:      0.103D-01 0.303D+00 0.723D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=2.15D-04 DE=-5.77D-09 OVMax= 1.32D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.56D-07    CP:  1.98D+00  1.19D+00  1.25D+00  1.13D+00  1.42D+00
                    CP:  1.32D+00  1.19D+00  1.17D+00  9.63D-01
 E= -654.811394397954     Delta-E=       -0.000000001093 Rises=F Damp=F
 DIIS: error= 1.48D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -654.811394397954     IErMin=10 ErrMin= 1.48D-07
 ErrMax= 1.48D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.38D-11 BMatP= 8.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-04 0.266D-03 0.233D-03-0.456D-03-0.211D-02-0.972D-02
 Coeff-Com: -0.222D-01 0.318D-01 0.215D+00 0.787D+00
 Coeff:     -0.126D-04 0.266D-03 0.233D-03-0.456D-03-0.211D-02-0.972D-02
 Coeff:     -0.222D-01 0.318D-01 0.215D+00 0.787D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.22D-07 MaxDP=1.02D-05 DE=-1.09D-09 OVMax= 4.54D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.61D-07    CP:  1.98D+00  1.19D+00  1.25D+00  1.13D+00  1.42D+00
                    CP:  1.32D+00  1.19D+00  1.18D+00  1.01D+00  1.07D+00
 E= -654.811394398102     Delta-E=       -0.000000000148 Rises=F Damp=F
 DIIS: error= 5.51D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -654.811394398102     IErMin=11 ErrMin= 5.51D-08
 ErrMax= 5.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.00D-12 BMatP= 4.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.253D-05-0.268D-04 0.274D-05 0.445D-03 0.883D-03 0.200D-03
 Coeff-Com: -0.951D-02-0.380D-01-0.355D-01 0.293D+00 0.789D+00
 Coeff:     -0.253D-05-0.268D-04 0.274D-05 0.445D-03 0.883D-03 0.200D-03
 Coeff:     -0.951D-02-0.380D-01-0.355D-01 0.293D+00 0.789D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.18D-07 MaxDP=1.05D-05 DE=-1.48D-10 OVMax= 2.03D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.16D-08    CP:  1.98D+00  1.19D+00  1.25D+00  1.13D+00  1.42D+00
                    CP:  1.32D+00  1.19D+00  1.19D+00  1.02D+00  1.11D+00
                    CP:  1.03D+00
 E= -654.811394398098     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 1.50D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -654.811394398102     IErMin=12 ErrMin= 1.50D-08
 ErrMax= 1.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.87D-13 BMatP= 8.00D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.353D-06-0.333D-04-0.210D-04 0.178D-03 0.479D-03 0.936D-03
 Coeff-Com: -0.826D-03-0.146D-01-0.301D-01 0.160D-01 0.235D+00 0.793D+00
 Coeff:      0.353D-06-0.333D-04-0.210D-04 0.178D-03 0.479D-03 0.936D-03
 Coeff:     -0.826D-03-0.146D-01-0.301D-01 0.160D-01 0.235D+00 0.793D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=5.01D-08 MaxDP=5.53D-06 DE= 4.77D-12 OVMax= 5.96D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.14D-08    CP:  1.98D+00  1.19D+00  1.25D+00  1.13D+00  1.42D+00
                    CP:  1.32D+00  1.19D+00  1.19D+00  1.02D+00  1.12D+00
                    CP:  1.07D+00  9.67D-01
 E= -654.811394398048     Delta-E=        0.000000000050 Rises=F Damp=F
 DIIS: error= 9.35D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -654.811394398102     IErMin=13 ErrMin= 9.35D-09
 ErrMax= 9.35D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-13 BMatP= 5.87D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.436D-06-0.104D-04-0.881D-05 0.200D-04 0.916D-04 0.328D-03
 Coeff-Com:  0.734D-03-0.136D-02-0.744D-02-0.273D-01-0.206D-02 0.302D+00
 Coeff-Com:  0.735D+00
 Coeff:      0.436D-06-0.104D-04-0.881D-05 0.200D-04 0.916D-04 0.328D-03
 Coeff:      0.734D-03-0.136D-02-0.744D-02-0.273D-01-0.206D-02 0.302D+00
 Coeff:      0.735D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.43D-08 MaxDP=1.31D-06 DE= 4.98D-11 OVMax= 2.19D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.47D-09    CP:  1.98D+00  1.19D+00  1.25D+00  1.13D+00  1.42D+00
                    CP:  1.32D+00  1.19D+00  1.18D+00  1.02D+00  1.11D+00
                    CP:  1.06D+00  1.04D+00  9.55D-01
 E= -654.811394398070     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 2.57D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -654.811394398102     IErMin=14 ErrMin= 2.57D-09
 ErrMax= 2.57D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-14 BMatP= 1.05D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-06 0.134D-05 0.157D-08-0.187D-04-0.385D-04-0.270D-04
 Coeff-Com:  0.368D-03 0.170D-02 0.203D-02-0.113D-01-0.366D-01-0.175D-01
 Coeff-Com:  0.253D+00 0.809D+00
 Coeff:      0.106D-06 0.134D-05 0.157D-08-0.187D-04-0.385D-04-0.270D-04
 Coeff:      0.368D-03 0.170D-02 0.203D-02-0.113D-01-0.366D-01-0.175D-01
 Coeff:      0.253D+00 0.809D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=4.75D-09 MaxDP=4.65D-07 DE=-2.18D-11 OVMax= 1.30D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -654.811394398     A.U. after   14 cycles
            NFock= 14  Conv=0.47D-08     -V/T= 2.0048
 KE= 6.517135416289D+02 PE=-3.472044197392D+03 EE= 1.192430242483D+03
 Leave Link  502 at Wed Sep 29 12:11:31 2021, MaxMem=  6442450944 cpu:            8479.0 elap:            1061.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.86938512D+02

 Leave Link  801 at Wed Sep 29 12:11:32 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10255 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 3.41D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.44D-01 8.30D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 6.03D-02 8.01D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 8.14D-03 2.04D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 1.32D-03 5.05D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.84D-04 1.64D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 1.40D-05 5.50D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 7.39D-07 1.17D-04.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 3.05D-08 2.79D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 1.27D-09 4.65D-06.
     11 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 4.93D-11 6.85D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 1.73D-12 1.35D-07.
      4 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 7.61D-14 2.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.14D-13
 Solved reduced A of dimension   133 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.228113D+03
      2 -0.178319D+01  0.143366D+03
      3  0.194472D+01 -0.721663D+01  0.153466D+03
 Isotropic polarizability for W=    0.088559      174.98 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.261264D+03  0.389601D+02 -0.237712D+02
      2  -0.140665D+03 -0.198805D+02  0.429010D+02
      3  -0.120598D+03 -0.190796D+02 -0.191298D+02
      4  -0.383042D+02  0.728317D+02 -0.176760D+02
      5  -0.261457D+02 -0.238929D+02  0.747747D+02
      6  -0.844318D+00  0.231116D+02 -0.342788D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.811475D+01 -0.839735D+01  0.224711D+02
      2  -0.132875D+00 -0.820306D+01  0.360063D+02
      3  -0.105840D+03 -0.408018D+02  0.138490D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.621690D+01 -0.197894D+02  0.151991D+02
      2   0.237445D+01 -0.168317D+02  0.195373D+03
      3  -0.772644D+02 -0.213497D+03  0.230486D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.126877D+01 -0.443148D-01  0.130841D+02
      2  -0.443148D-01 -0.134078D+01 -0.106663D+01
      3   0.130841D+02 -0.106663D+01 -0.239676D+01
 OR G Eigenvalues:   -13.8241    -1.3309    12.6862  Iso=     0.8229
 Eigenvectors:
   (1)  -0.653664   0.062124   0.754231
   (2)   0.080228   0.996697  -0.012565
   (3)   0.752520  -0.052298   0.656489
 w=    0.088559 a.u., Optical Rotation Beta=      0.8229 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      202.29 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.89D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.34D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.81D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 4.53D-02 2.64D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 3.17D-03 7.12D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 8.77D-05 1.82D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 2.97D-06 2.79D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 4.59D-08 2.53D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 5.94D-10 2.01D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 8.65D-12 2.65D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 1.02D-13 2.80D-08.
     11 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 1.75D-14 1.03D-08.
      2 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 6.12D-15 4.18D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   283 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 2.09D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 2.09D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.25D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228113D+03 -0.178319D+01  0.194472D+01
      2  -0.178319D+01  0.143366D+03 -0.721663D+01
      3   0.194472D+01 -0.721663D+01  0.153466D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.811475D+01 -0.839735D+01  0.224711D+02
      2  -0.132875D+00 -0.820306D+01  0.360063D+02
      3  -0.105840D+03 -0.408018D+02  0.138490D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.261264D+03  0.389601D+02 -0.237712D+02
      2  -0.140665D+03 -0.198805D+02  0.429010D+02
      3  -0.120598D+03 -0.190796D+02 -0.191298D+02
      4  -0.383042D+02  0.728317D+02 -0.176760D+02
      5  -0.261457D+02 -0.238929D+02  0.747747D+02
      6  -0.844318D+00  0.231116D+02 -0.342788D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.118625D+02 -0.119984D+00  0.802436D+00  0.584621D+01  0.216812D+01
      2  -0.119984D+00  0.124599D+01  0.510001D-01  0.216812D+01  0.197271D+01
      3   0.802436D+00  0.510001D-01  0.116801D+01 -0.165149D+00 -0.274174D+01
                 6             7             8             9            10 
      1  -0.165149D+00 -0.101766D+02  0.274467D+00 -0.518785D+00  0.325006D+02
      2  -0.274174D+01  0.274467D+00 -0.116949D+01 -0.113689D+01  0.155341D+01
      3  -0.219209D+01 -0.518785D+00 -0.113689D+01 -0.166101D+01 -0.120038D+01
                11            12            13            14            15 
      1   0.155341D+01 -0.120038D+01 -0.533953D+00  0.451441D+01  0.120703D+01
      2   0.193945D+01 -0.778512D+00  0.451441D+01 -0.781242D+00 -0.161165D+00
      3  -0.778512D+00  0.292183D+01  0.120703D+01 -0.161165D+00 -0.816022D+00
                16            17            18            19            20 
      1  -0.414490D+01  0.144465D+01  0.137435D+01  0.852462D+01 -0.102441D-01
      2   0.144465D+01  0.168335D+00 -0.687200D+00 -0.102441D-01 -0.123706D+01
      3   0.137435D+01 -0.687200D+00 -0.618259D+00 -0.784331D+00 -0.381450D+00
                21            22            23            24            25 
      1  -0.784331D+00  0.424406D+01 -0.138750D+01 -0.109453D+01 -0.133626D+02
      2  -0.381450D+00 -0.138750D+01  0.237680D+01 -0.224181D+01 -0.153645D+00
      3  -0.288248D+01 -0.109453D+01 -0.224181D+01 -0.124685D+01  0.670942D+00
                26            27            28            29            30 
      1  -0.153645D+00  0.670942D+00 -0.296148D+02 -0.525530D+00  0.120086D+01
      2  -0.705275D+00 -0.765759D+00 -0.525530D+00 -0.146327D+01  0.297181D+00
      3  -0.765759D+00 -0.158817D+01  0.120086D+01  0.297181D+00 -0.267229D+01
                31            32            33            34            35 
      1   0.225809D+01 -0.502131D+01 -0.133147D+01  0.276818D+01 -0.124779D+01
      2  -0.502131D+01  0.645897D+00  0.379546D+00 -0.124779D+01 -0.163321D+00
      3  -0.133147D+01  0.379546D+00  0.159908D-01 -0.960364D+00 -0.790867D+00
                36            37            38            39            40 
      1  -0.960364D+00  0.132033D+02 -0.458748D+00 -0.845643D+00 -0.362661D+01
      2  -0.790867D+00 -0.458748D+00 -0.220923D+01  0.119223D+01 -0.177825D+01
      3   0.103964D+01 -0.845643D+00  0.119223D+01 -0.186977D+01 -0.242223D+00
                41            42            43            44            45 
      1  -0.177825D+01 -0.242223D+00  0.113480D+02 -0.185897D+01  0.614230D+00
      2  -0.267916D+01  0.249797D+01 -0.185897D+01  0.124354D+01  0.131279D+01
      3   0.249797D+01  0.201759D+01  0.614230D+00  0.131279D+01  0.129444D+01
                46            47            48            49            50 
      1  -0.962745D+01  0.572306D+00  0.471096D+00 -0.291603D+01  0.989376D+00
      2   0.572306D+00  0.165903D+01 -0.606571D+00  0.989376D+00 -0.336219D+01
      3   0.471096D+00 -0.606571D+00  0.310389D+01  0.156747D+01  0.210483D+01
                51            52            53            54            55 
      1   0.156747D+01  0.130246D+02  0.142644D+01 -0.117006D+01 -0.172210D+02
      2   0.210483D+01  0.142644D+01 -0.128001D+00  0.142674D+01 -0.194926D+01
      3   0.117618D+01 -0.117006D+01  0.142674D+01  0.825571D+00 -0.115440D+00
                56            57            58            59            60 
      1  -0.194926D+01 -0.115440D+00 -0.554040D+01 -0.694154D+01 -0.325205D+00
      2  -0.340016D+01 -0.226019D-01 -0.694154D+01  0.285041D+01 -0.155065D+01
      3  -0.226019D-01 -0.141397D+01 -0.325205D+00 -0.155065D+01  0.101822D+00
                61            62            63            64            65 
      1  -0.553921D+01 -0.106365D+01 -0.294973D+01  0.392685D+00  0.289735D+01
      2  -0.106365D+01 -0.282752D+01  0.697349D+00  0.289735D+01  0.368386D+01
      3  -0.294973D+01  0.697349D+00  0.564090D+01 -0.178556D+00  0.357682D+00
                66            67            68            69            70 
      1  -0.178556D+00  0.112249D+02  0.636238D+01  0.642895D+00  0.564514D+01
      2   0.357682D+00  0.636238D+01 -0.169788D+01  0.183803D+01  0.114936D+01
      3   0.245385D+01  0.642895D+00  0.183803D+01  0.572396D+00  0.375998D+01
                71            72            73            74            75 
      1   0.114936D+01  0.375998D+01  0.594401D+01 -0.256226D+01 -0.119084D+01
      2   0.267421D+01  0.641736D+00 -0.256226D+01 -0.336317D+01 -0.758399D+00
      3   0.641736D+00 -0.766935D+01 -0.119084D+01 -0.758399D+00 -0.186934D+01
                76            77            78            79            80 
      1  -0.403174D+01 -0.394649D+01 -0.953538D+00 -0.222123D+01 -0.944801D+00
      2  -0.394649D+01 -0.598858D+00 -0.269705D+01 -0.944801D+00 -0.366828D+01
      3  -0.953538D+00 -0.269705D+01 -0.129642D+01 -0.269772D+01 -0.209753D+01
                81            82            83            84            85 
      1  -0.269772D+01  0.426899D+01 -0.175519D+01 -0.510184D+00 -0.375728D+01
      2  -0.209753D+01 -0.175519D+01 -0.361209D+01 -0.567895D+00 -0.561342D+01
      3   0.553455D+01 -0.510184D+00 -0.567895D+00 -0.295538D+01 -0.867144D+00
                86            87            88            89            90 
      1  -0.561342D+01 -0.867144D+00 -0.186292D+01 -0.914040D+00 -0.459452D+01
      2   0.230251D+01 -0.371947D+01 -0.914040D+00 -0.379757D+01 -0.336362D+00
      3  -0.371947D+01 -0.484902D+00 -0.459452D+01 -0.336362D+00  0.466857D+01
                91            92            93            94            95 
      1   0.583208D+01  0.217357D+01  0.137663D+00 -0.106821D+01  0.572815D+01
      2   0.217357D+01  0.178421D+01  0.959012D+00  0.572815D+01 -0.354338D+01
      3   0.137663D+00  0.959012D+00  0.129697D+01  0.170837D+01 -0.116885D+00
                96            97            98            99           100 
      1   0.170837D+01  0.330130D+01  0.174389D+01  0.174523D+01  0.277284D+01
      2  -0.116885D+00  0.174389D+01  0.165652D+01  0.178985D+01 -0.187398D+01
      3   0.140999D+01  0.174523D+01  0.178985D+01 -0.438569D+01  0.155695D+01
               101           102           103           104           105 
      1  -0.187398D+01  0.155695D+01 -0.124146D+01 -0.109144D+01 -0.121476D+01
      2   0.459547D+00 -0.829584D+00 -0.109144D+01  0.373500D+01 -0.275336D+00
      3  -0.829584D+00  0.480455D+00 -0.121476D+01 -0.275336D+00 -0.207831D+01
               106           107           108           109           110 
      1   0.272266D+01 -0.293467D+01  0.153416D+01 -0.542958D+01  0.209548D+01
      2  -0.293467D+01  0.285193D+01 -0.257071D+01  0.209548D+01 -0.157999D+01
      3   0.153416D+01 -0.257071D+01  0.270526D+01 -0.358041D+01  0.654187D+00
               111           112           113           114           115 
      1  -0.358041D+01  0.294744D+01 -0.226682D+01  0.125592D+01 -0.803938D+01
      2   0.654187D+00 -0.226682D+01  0.241324D+01 -0.204440D+01  0.315992D+01
      3  -0.187994D+01  0.125592D+01 -0.204440D+01  0.219517D+01 -0.329572D+01
               116           117           118           119           120 
      1   0.315992D+01 -0.329572D+01  0.884922D+00  0.763545D-01  0.134090D+01
      2  -0.489342D+01  0.208223D+01  0.763545D-01  0.231789D+01  0.457616D+00
      3   0.208223D+01 -0.748523D+01  0.134090D+01  0.457616D+00  0.236088D+00
               121           122           123           124           125 
      1  -0.135307D+00  0.250984D+01  0.144125D+00  0.355144D+01 -0.113787D+01
      2   0.250984D+01 -0.639702D+01  0.831671D+00 -0.113787D+01  0.259703D+01
      3   0.144125D+00  0.831671D+00  0.323696D+00 -0.126199D+01  0.282373D+01
               126           127           128           129           130 
      1  -0.126199D+01  0.205298D+01  0.614192D+00 -0.196374D+01  0.323057D+00
      2   0.282373D+01  0.614192D+00  0.321983D+00 -0.410327D+00  0.125853D+00
      3   0.490240D+01 -0.196374D+01 -0.410327D+00  0.215752D+01 -0.663862D+00
               131           132           133           134           135 
      1   0.125853D+00 -0.663862D+00 -0.246974D+01 -0.895215D+00  0.264607D+01
      2   0.435733D+00 -0.633833D+00 -0.895215D+00 -0.129798D+01  0.163494D+01
      3  -0.633833D+00  0.220684D+01  0.264607D+01  0.163494D+01 -0.721656D+01
               136           137           138           139           140 
      1  -0.379206D+01  0.102531D+01 -0.184405D+01  0.163185D+01 -0.544436D+00
      2   0.102531D+01 -0.787605D+00  0.575120D+00 -0.544436D+00  0.637861D+00
      3  -0.184405D+01  0.575120D+00 -0.183948D+01  0.110133D+01 -0.611444D+00
               141           142           143           144           145 
      1   0.110133D+01 -0.252402D+01  0.880161D+00 -0.249530D+01 -0.218557D+01
      2  -0.611444D+00  0.880161D+00 -0.128386D+01  0.137382D+01 -0.669140D+00
      3   0.172553D+01 -0.249530D+01  0.137382D+01 -0.453532D+01  0.207926D+01
               146           147           148           149           150 
      1  -0.669140D+00  0.207926D+01 -0.538462D+00 -0.163104D+00  0.740863D+00
      2  -0.412632D+00  0.678824D+00 -0.163104D+00 -0.673036D+00  0.877751D+00
      3   0.678824D+00 -0.227465D+01  0.740863D+00  0.877751D+00 -0.236069D+01
               151           152           153           154           155 
      1   0.224192D+01  0.106078D+01 -0.271294D+01  0.375554D+01 -0.112830D+01
      2   0.106078D+01  0.171605D+01 -0.240202D+01 -0.112830D+01  0.102652D+01
      3  -0.271294D+01 -0.240202D+01  0.749992D+01  0.250052D+01 -0.115496D+01
               156           157           158           159           160 
      1   0.250052D+01 -0.197577D+01  0.760892D+00 -0.140345D+01  0.283212D+01
      2  -0.115496D+01  0.760892D+00 -0.945938D+00  0.936172D+00 -0.126814D+01
      3   0.238015D+01 -0.140345D+01  0.936172D+00 -0.207661D+01  0.290394D+01
               161           162           163           164           165 
      1  -0.126814D+01  0.290394D+01  0.108461D+01 -0.434200D-01 -0.142030D+01
      2   0.175853D+01 -0.213663D+01 -0.434200D-01  0.769860D+00  0.297025D+00
      3  -0.213663D+01  0.509837D+01 -0.142030D+01  0.297025D+00  0.139118D+01
               166           167           168           169           170 
      1   0.177950D+01  0.113923D+01 -0.115791D+00 -0.404209D+01  0.893422D-01
      2   0.113923D+01 -0.403147D+00 -0.653602D+00  0.893422D-01 -0.130684D+01
      3  -0.115791D+00 -0.653602D+00  0.187052D+00  0.240581D+01 -0.121965D+01
               171           172           173           174           175 
      1   0.240581D+01  0.429949D+01 -0.180048D+01  0.606355D+00 -0.443912D+01
      2  -0.121965D+01 -0.180048D+01  0.236530D+01 -0.495344D-01  0.345861D+01
      3  -0.631854D+01  0.606355D+00 -0.495344D-01  0.403348D+00 -0.194914D+00
               176           177           178           179           180 
      1   0.345861D+01 -0.194914D+00  0.511904D+01 -0.454237D+00  0.101715D+01
      2  -0.668699D+01  0.793559D+00 -0.454237D+00  0.208284D+01 -0.104707D+01
      3   0.793559D+00 -0.842367D+00  0.101715D+01 -0.104707D+01  0.273768D+00
               181           182           183           184           185 
      1  -0.836492D+00 -0.814612D+00  0.117746D+01 -0.167539D+01 -0.818024D+00
      2  -0.814612D+00 -0.847929D+00 -0.641985D-01 -0.818024D+00  0.184001D+00
      3   0.117746D+01 -0.641985D-01 -0.974508D+00  0.101409D+00  0.653986D+00
               186           187           188           189           190 
      1   0.101409D+00  0.252506D+01  0.196121D+00 -0.582217D+00 -0.868531D+01
      2   0.653986D+00  0.196121D+00  0.120284D+01 -0.515241D-01  0.575941D+00
      3  -0.536942D-01 -0.582217D+00 -0.515241D-01  0.725607D+01  0.460552D+00
               191           192           193           194           195 
      1   0.575941D+00  0.460552D+00  0.234362D+00 -0.127726D+01  0.634647D-01
      2  -0.251611D+01  0.730541D-01 -0.127726D+01  0.795996D+00  0.317469D+00
      3   0.730541D-01 -0.721934D+00  0.634647D-01  0.317469D+00  0.452499D+00
               196           197           198           199           200 
      1   0.539651D+00 -0.125481D+00 -0.241333D+00  0.375424D+00  0.630434D+00
      2  -0.125481D+00  0.606822D+00  0.610958D+00  0.630434D+00  0.939189D+00
      3  -0.241333D+00  0.610958D+00 -0.284589D+00 -0.938886D+00 -0.290317D+00
               201           202           203           204           205 
      1  -0.938886D+00  0.290181D+00  0.537911D+00 -0.474374D-01 -0.198255D+01
      2  -0.290317D+00  0.537911D+00  0.846691D+00 -0.637088D+00 -0.590517D+00
      3   0.137594D+01 -0.474374D-01 -0.637088D+00  0.531339D+00  0.148969D+01
               206           207           208           209           210 
      1  -0.590517D+00  0.148969D+01  0.244502D+01  0.263788D+01  0.912117D+00
      2  -0.219892D+01  0.197714D+01  0.263788D+01  0.347640D+01  0.751627D+00
      3   0.197714D+01 -0.670902D+01  0.912117D+00  0.751627D+00  0.102335D+01
               211           212           213           214           215 
      1   0.246698D+01  0.330892D+01  0.880573D+00  0.199856D+01  0.156490D+01
      2   0.330892D+01  0.680510D+01  0.188934D+01  0.156490D+01  0.350548D+01
      3   0.880573D+00  0.188934D+01  0.143360D+01  0.125051D+01  0.184744D+01
               216           217           218           219           220 
      1   0.125051D+01  0.204420D+01  0.116839D+00 -0.143067D+01  0.422034D+00
      2   0.184744D+01  0.116839D+00  0.643888D+00  0.629092D-01  0.115332D+01
      3   0.111152D+01 -0.143067D+01  0.629092D-01  0.166297D+01 -0.170617D-01
               221           222           223           224           225 
      1   0.115332D+01 -0.170617D-01 -0.478300D+01  0.106952D+00  0.341116D+01
      2  -0.161149D+00 -0.395565D+00  0.106952D+00 -0.109182D+01 -0.258003D-01
      3  -0.395565D+00  0.151330D+00  0.341116D+01 -0.258003D-01 -0.612456D+01
               226           227           228           229           230 
      1   0.194330D+01 -0.163509D+01  0.802131D+00 -0.426397D+01  0.338960D+01
      2  -0.163509D+01  0.179867D+01 -0.505683D+00  0.338960D+01 -0.583575D+01
      3   0.802131D+00 -0.505683D+00  0.867543D+00 -0.106555D+01  0.192576D+01
               231           232           233           234           235 
      1  -0.106555D+01  0.200934D+01 -0.936887D+00  0.162508D+01  0.492092D+01
      2   0.192576D+01 -0.936887D+00  0.221223D+01 -0.124806D+01  0.239610D+01
      3  -0.162742D+01  0.162508D+01 -0.124806D+01  0.108627D+01  0.171709D+01
               236           237           238           239           240 
      1   0.239610D+01  0.171709D+01  0.591059D+01  0.355716D+01  0.164959D+01
      2   0.202625D+01  0.913986D+00  0.355716D+01  0.340850D+01  0.176675D+01
      3   0.913986D+00  0.142822D+01  0.164959D+01  0.176675D+01  0.169773D+01
               241           242           243           244           245 
      1   0.384041D+01  0.150121D+01  0.248705D+01  0.433612D+00 -0.844672D+00
      2   0.150121D+01  0.204985D+01  0.130005D+01 -0.844672D+00 -0.519951D+00
      3   0.248705D+01  0.130005D+01  0.161056D+01  0.131569D+01  0.761445D-01
               246           247           248           249           250 
      1   0.131569D+01 -0.125387D+01 -0.104692D+01  0.185155D+00  0.288407D+01
      2   0.761445D-01 -0.104692D+01 -0.627014D+00  0.107990D+01  0.256156D+00
      3  -0.113513D+01  0.185155D+00  0.107990D+01 -0.126325D+01 -0.190689D+01
               251           252           253           254           255 
      1   0.256156D+00 -0.190689D+01  0.825218D+01  0.217548D-01 -0.162868D+01
      2   0.163459D+01 -0.114193D+01  0.217548D-01 -0.344917D+01 -0.702970D+00
      3  -0.114193D+01  0.602599D+01 -0.162868D+01 -0.702970D+00 -0.997438D+00
               256           257           258           259           260 
      1  -0.441598D+01 -0.374075D+01 -0.113582D+01 -0.609572D+01 -0.135397D+01
      2  -0.374075D+01  0.384272D+01 -0.130231D+01 -0.135397D+01 -0.240419D+01
      3  -0.113582D+01 -0.130231D+01 -0.171416D+01 -0.144320D+01 -0.124231D+01
               261           262           263           264           265 
      1  -0.144320D+01 -0.119150D+01  0.163918D+01  0.585812D+00  0.191011D+01
      2  -0.124231D+01  0.163918D+01 -0.227084D+01 -0.555947D+00 -0.320446D+01
      3   0.386635D+01  0.585812D+00 -0.555947D+00 -0.509546D+00 -0.661170D+00
               266           267           268           269           270 
      1  -0.320446D+01 -0.661170D+00 -0.283513D+00  0.613315D+00 -0.223523D+00
      2   0.100197D+02  0.201251D+01  0.613315D+00 -0.153441D+01  0.534014D+00
      3   0.201251D+01  0.189036D+01 -0.223523D+00  0.534014D+00  0.526236D+00
               271           272           273           274           275 
      1  -0.152340D+02 -0.234393D+01  0.136693D+00  0.340616D+00 -0.103437D+01
      2  -0.234393D+01 -0.165138D+01 -0.163376D+00 -0.103437D+01 -0.605847D+00
      3   0.136693D+00 -0.163376D+00 -0.114070D+01  0.941502D-01  0.186308D+00
               276           277           278           279           280 
      1   0.941502D-01  0.230210D+01  0.508172D+00 -0.113539D+01  0.139080D+00
      2   0.186308D+00  0.508172D+00  0.667586D+00 -0.779836D-01 -0.722947D+00
      3   0.211248D+00 -0.113539D+01 -0.779836D-01  0.748086D-02  0.307663D+00
               281           282           283           284           285 
      1  -0.722947D+00  0.307663D+00 -0.162112D+01 -0.178843D+00 -0.384871D-01
      2   0.236887D+01  0.232453D+00 -0.178843D+00 -0.844459D+01  0.100935D-01
      3   0.232453D+00  0.450251D+00 -0.384871D-01  0.100935D-01 -0.982573D+00
               286           287           288           289           290 
      1   0.105291D+01  0.323581D+00  0.400889D-01 -0.390130D+00  0.231676D+00
      2   0.323581D+00  0.138105D+01 -0.720481D+00  0.231676D+00  0.493661D+00
      3   0.400889D-01 -0.720481D+00 -0.904107D-01 -0.479155D+00  0.212276D+00
               291           292           293           294           295 
      1  -0.479155D+00  0.120473D+01  0.351146D+00  0.195213D+00 -0.217891D+01
      2   0.212276D+00  0.351146D+00  0.170372D+00 -0.319317D+00 -0.419536D+00
      3   0.334992D+00  0.195213D+00 -0.319317D+00  0.734967D+00 -0.785753D+00
               296           297 
      1  -0.419536D+00 -0.785753D+00
      2  -0.153854D+01 -0.353992D+00
      3  -0.353992D+00 -0.628716D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124165D+01 -0.232913D+01  0.115004D+01 -0.705632D+01 -0.231857D+01
      2   0.278567D+01 -0.208406D+01  0.893801D+01 -0.226605D+01  0.154735D+01
      3   0.165739D+02 -0.168566D+01  0.273969D+01  0.852382D+01 -0.170064D+01
                 6             7             8             9            10 
      1  -0.223501D+01 -0.163656D+01  0.171195D+01  0.282942D-01 -0.133248D+01
      2  -0.315348D+01 -0.434195D+01 -0.110094D+01  0.248076D+01  0.171465D+00
      3   0.229100D+01  0.142039D+02  0.321658D+00  0.277275D+01 -0.316717D+02
                11            12            13            14            15 
      1   0.366285D+00  0.163453D+01  0.227003D+01  0.435697D+01 -0.856812D+01
      2   0.550826D+00 -0.438291D+01  0.488288D+01  0.218814D+00  0.636339D+00
      3  -0.504686D+00  0.935009D+00  0.115158D+02 -0.144345D+01 -0.473348D+00
                16            17            18            19            20 
      1  -0.326422D+01 -0.184154D+01 -0.499945D+01 -0.705204D-01  0.153464D+01
      2  -0.254128D+02 -0.175451D+01 -0.271065D+01 -0.378859D+01 -0.200234D+01
      3  -0.864759D+00 -0.163755D+01 -0.148473D+01 -0.100476D+02 -0.177323D+01
                21            22            23            24            25 
      1  -0.119284D+01  0.579437D+01 -0.165544D+01 -0.340597D+01  0.482826D+01
      2   0.295923D+01 -0.423583D+01 -0.182959D+01  0.105920D+01 -0.126814D+01
      3   0.221669D+01  0.816155D+01  0.127898D+01 -0.266015D+01  0.173191D+02
                26            27            28            29            30 
      1   0.149400D+01 -0.166270D+01  0.156085D+01  0.629151D+00 -0.279359D+01
      2   0.735976D+00 -0.138778D+01  0.774647D+00  0.204443D+01 -0.419287D+01
      3  -0.913564D+00 -0.437675D+01  0.285739D+02  0.137416D+01 -0.265433D+01
                31            32            33            34            35 
      1  -0.169757D+01  0.447950D+01 -0.887025D+01 -0.513064D+01 -0.937307D+00
      2   0.467893D+01 -0.123490D+00  0.226864D+01 -0.267901D+02  0.335621D+01
      3   0.898917D+01  0.564128D+01  0.827861D+00 -0.629850D+01 -0.202491D+01
                36            37            38            39            40 
      1  -0.329487D+01 -0.228045D+01 -0.103780D+01 -0.117433D+01 -0.603970D+01
      2  -0.151668D+01  0.693731D+00 -0.239503D+01  0.822614D+01 -0.332461D+01
      3   0.197461D+01 -0.134793D+02 -0.756294D+00  0.289841D+01  0.136601D+02
                41            42            43            44            45 
      1   0.126284D+01  0.881515D+00 -0.205639D+01  0.341633D+01  0.228470D+01
      2   0.168534D+01 -0.200409D+01 -0.678137D+01 -0.864509D+00  0.249578D+01
      3  -0.503670D+00  0.241444D+01 -0.107219D+02  0.370457D+01  0.147168D+01
                46            47            48            49            50 
      1   0.118982D+01  0.148118D+01  0.259817D+01  0.874727D+01  0.138222D+01
      2  -0.258611D+01 -0.199320D+01  0.355552D+01 -0.411781D+01 -0.183525D+01
      3   0.126817D+02 -0.221827D+01 -0.675888D+00  0.138320D+02  0.125755D+01
                51            52            53            54            55 
      1  -0.250339D+01  0.267225D+01  0.341443D+01  0.506180D+00 -0.154194D+01
      2   0.107154D+01 -0.176555D+01  0.128552D+01 -0.189070D+01 -0.355718D+01
      3  -0.439586D+01 -0.103859D+02 -0.143868D+01 -0.115232D+01  0.171760D+02
                56            57            58            59            60 
      1  -0.124843D+00 -0.533137D+00 -0.448454D+00 -0.575685D+01 -0.658713D+00
      2   0.703859D+00 -0.293427D+00 -0.115529D+01 -0.100561D+02  0.179493D+01
      3   0.926533D+01  0.384511D-01  0.343275D+02 -0.193579D+01  0.544851D+01
                61            62            63            64            65 
      1   0.149804D+00  0.385569D+01  0.470646D+01  0.227834D+01  0.917829D+00
      2  -0.203638D+02  0.818677D+00  0.217490D+02  0.341800D+01  0.143064D+01
      3   0.905169D+01  0.101295D+02  0.130380D+01 -0.195907D+02 -0.190535D+02
                66            67            68            69            70 
      1  -0.166012D+01 -0.407606D+00 -0.139375D+01 -0.219096D+01  0.106037D+00
      2   0.126418D+02  0.455674D+01  0.936263D+01  0.448006D+00  0.129007D+02
      3  -0.167844D+01 -0.258608D+02  0.601048D+01 -0.760340D+01 -0.997770D+01
                71            72            73            74            75 
      1   0.413800D+01  0.439104D+01  0.236574D+01  0.239861D+01  0.472690D+01
      2   0.356440D+01 -0.349957D+02 -0.110881D+01 -0.439439D+01 -0.470471D+01
      3  -0.113410D+02 -0.277360D+01  0.265193D+02  0.284032D+01  0.809086D+00
                76            77            78            79            80 
      1   0.335591D+01  0.918065D+01  0.231824D+01  0.686173D+01  0.844112D+01
      2  -0.564540D+01 -0.100328D+02 -0.465335D+01 -0.116671D+02 -0.733039D+01
      3   0.965643D+01 -0.534186D+01  0.761767D+01  0.129993D+01  0.104386D+02
                81            82            83            84            85 
      1  -0.119303D+02 -0.340927D+00 -0.145541D+00  0.249922D+00  0.968637D-01
      2   0.189395D+02 -0.581437D+01 -0.254913D+01 -0.156156D+02 -0.413523D+01
      3   0.361036D+01  0.898657D+01  0.193002D+02  0.310965D+01  0.373061D+02
                86            87            88            89            90 
      1   0.106300D+01 -0.216477D+01  0.662183D+00  0.996768D+00 -0.113553D+01
      2  -0.211327D+02 -0.105126D+01 -0.305110D+02 -0.163807D+01  0.273335D+02
      3  -0.143413D+02  0.217580D+02  0.490291D+01  0.216535D+02  0.210742D+01
                91            92            93            94            95 
      1   0.394487D+00  0.525865D+00  0.227567D+01  0.192353D+01 -0.208366D+01
      2  -0.396893D+01 -0.346542D+01  0.978914D-01 -0.328391D+01 -0.268161D+01
      3  -0.439294D+01  0.142876D+00  0.326461D+01  0.334827D+02 -0.163619D+02
                96            97            98            99           100 
      1  -0.342047D+01  0.271906D+01  0.523359D+01 -0.134924D+01 -0.564895D+00
      2  -0.680811D+01 -0.154313D+02 -0.596491D+01  0.160140D+02  0.259719D+01
      3  -0.125939D+01  0.231632D+01  0.403939D+01  0.482841D+01  0.123012D+02
               101           102           103           104           105 
      1  -0.629532D+01 -0.588021D+01 -0.638600D-01  0.126517D+00  0.285592D+01
      2   0.315340D+01  0.455809D+01  0.137579D+01  0.322899D+01  0.149046D+02
      3  -0.127575D+02 -0.538741D+01 -0.835306D+01  0.345585D+01  0.121329D+01
               106           107           108           109           110 
      1  -0.660323D+01 -0.190555D+01 -0.418897D+01  0.429257D+01  0.324444D+01
      2  -0.397405D+01  0.100477D+02 -0.171101D+02  0.973816D+01 -0.243567D+01
      3  -0.123567D+02  0.171179D+02 -0.668698D+01 -0.521338D+00 -0.549481D+01
               111           112           113           114           115 
      1   0.419290D+01 -0.365069D+00 -0.360606D+00 -0.724608D+01  0.362707D+01
      2   0.918584D+01 -0.487672D+00  0.679293D+01 -0.113500D+02  0.412595D+01
      3   0.519097D+00 -0.413681D+01  0.116156D+02 -0.722769D+01  0.124193D+02
               116           117           118           119           120 
      1   0.646170D+01  0.114917D+02 -0.370070D+01  0.263676D+01  0.387341D-01
      2  -0.621538D+01  0.308630D+02 -0.607249D+01 -0.106688D+01  0.417061D+00
      3  -0.210261D+02  0.600058D+01 -0.881570D+00  0.759545D+01  0.448428D+01
               121           122           123           124           125 
      1   0.986790D+00 -0.461437D+01 -0.238305D+01 -0.185461D+01  0.769004D+01
      2  -0.251407D+01 -0.478308D+01 -0.205755D+01 -0.130378D+01 -0.850127D+01
      3   0.910279D+01 -0.170995D+02  0.303987D+01 -0.134822D+01  0.800863D+01
               126           127           128           129           130 
      1  -0.687276D+01 -0.180524D+01 -0.211794D+01  0.958519D+00 -0.147135D+00
      2  -0.161730D+02  0.467867D+01  0.873451D+00 -0.697648D+00  0.477320D+00
      3   0.908026D+01 -0.216102D+00 -0.992740D+00  0.881986D+00  0.109131D+01
               131           132           133           134           135 
      1  -0.138039D+01 -0.308112D+00  0.282172D+01  0.556334D+01 -0.461741D+01
      2  -0.433936D-01  0.565083D+00 -0.516442D+01 -0.464210D+00 -0.182629D+01
      3  -0.401004D+00  0.409716D+00  0.919299D+00  0.226954D+01 -0.151413D+01
               136           137           138           139           140 
      1  -0.244134D+01  0.322408D+01 -0.641397D+00  0.102827D+01 -0.132120D+01
      2  -0.855865D+01  0.172960D+01 -0.701085D+00  0.200437D+01 -0.613864D+00
      3   0.463261D+00 -0.163264D+01  0.815461D+00  0.591750D+00  0.123286D+01
               141           142           143           144           145 
      1  -0.698882D+00 -0.183616D+01  0.417463D+01 -0.253171D+01  0.171051D+01
      2   0.171501D-01 -0.443412D+01  0.481509D+00  0.110278D+01  0.448088D+01
      3  -0.408311D+00  0.704964D+00 -0.277863D+01  0.161103D+01  0.283360D+01
               146           147           148           149           150 
      1  -0.109074D+01 -0.226126D+01  0.107500D+01 -0.333253D-01 -0.360341D+01
      2   0.323806D+00 -0.647985D+00  0.546757D+00 -0.188492D+00  0.580485D+00
      3  -0.919923D-01 -0.188207D+01  0.191801D+01 -0.444789D+00 -0.511209D+00
               151           152           153           154           155 
      1  -0.160299D+01  0.265807D+01  0.547239D+01  0.247216D+01  0.156116D+01
      2  -0.471319D+01 -0.332324D+00 -0.129329D+01 -0.564745D+01  0.107722D+00
      3  -0.243504D+01  0.998713D+00  0.178738D+01 -0.515633D+01 -0.101683D+01
               156           157           158           159           160 
      1   0.230286D+01 -0.136835D+01  0.105217D+00 -0.379854D+01  0.230283D+01
      2  -0.220954D-01  0.120127D+01  0.148178D+00 -0.968079D+00 -0.333082D+01
      3  -0.208229D+01  0.421600D+01  0.777172D+00  0.853148D+00 -0.316737D+01
               161           162           163           164           165 
      1   0.176239D+01  0.405045D+01 -0.130909D+01 -0.734396D+00  0.111109D+01
      2  -0.124821D+00  0.209094D+01 -0.521300D+01  0.683685D+00  0.572965D+01
      3  -0.144118D+01 -0.186930D+01 -0.175757D+01 -0.367416D+01  0.496158D+00
               166           167           168           169           170 
      1   0.696230D-01 -0.330035D+00 -0.104358D+01  0.217712D+01  0.245695D+01
      2   0.588790D+00 -0.981933D+00  0.974701D+00  0.157074D+01 -0.402072D+01
      3  -0.306257D+01  0.327710D+00  0.163185D+01  0.352207D+01  0.465737D+01
               171           172           173           174           175 
      1  -0.640292D+01  0.975354D+00 -0.104556D+01  0.147838D+01 -0.151104D+01
      2  -0.206868D+02  0.493093D+01 -0.143841D+01  0.330117D+01 -0.271366D+01
      3   0.416416D+00  0.825927D+00 -0.747950D+01 -0.284444D+00 -0.347137D+01
               176           177           178           179           180 
      1   0.360586D+01 -0.362051D+01  0.153266D+01 -0.111445D+01  0.110954D+01
      2   0.557683D+01 -0.392073D+01  0.316367D+01 -0.394772D+01  0.671115D+00
      3   0.181393D+02 -0.186540D+01 -0.373260D+01 -0.675898D+01  0.184699D+01
               181           182           183           184           185 
      1  -0.258991D+01 -0.161802D+01  0.814114D+00 -0.113069D+01 -0.321311D+00
      2   0.765477D+01  0.789549D+00 -0.439966D+01  0.222711D+01  0.346462D+01
      3   0.272872D+01  0.263522D+01  0.365624D+00  0.531876D+01 -0.644792D+00
               186           187           188           189           190 
      1  -0.725651D+00  0.159096D+01  0.368013D+01 -0.390663D+01  0.353031D+00
      2  -0.813065D+00 -0.870594D+01 -0.110354D+01  0.297000D+02 -0.149860D+01
      3  -0.257394D+01 -0.244699D+00 -0.427244D+01 -0.177965D+00 -0.263558D+02
               191           192           193           194           195 
      1   0.652173D+00  0.254237D+01  0.253421D-01 -0.857913D+00 -0.123536D+01
      2   0.382103D+00 -0.515966D+00  0.436541D+00  0.739405D+00  0.358346D+00
      3   0.705688D+01  0.784170D+00  0.655508D+01 -0.393257D+01 -0.107931D+01
               196           197           198           199           200 
      1   0.213989D+01  0.608855D+00  0.667092D+00  0.202819D+01 -0.140257D+00
      2  -0.334457D+01  0.124424D+01 -0.957834D+00 -0.310484D+01 -0.113555D+01
      3   0.108077D+01 -0.217309D+01 -0.275204D+01 -0.250616D+01 -0.343263D+01
               201           202           203           204           205 
      1  -0.299064D+01  0.210617D+00  0.108354D+01 -0.240514D+01 -0.283201D+01
      2   0.519749D+01 -0.207787D+00 -0.177362D+01  0.115109D+01  0.441356D+00
      3  -0.127069D+00 -0.244575D+00 -0.176311D+01  0.177000D+01 -0.235402D+01
               206           207           208           209           210 
      1  -0.461029D-01  0.150551D+02 -0.261860D+01 -0.225593D+01 -0.407688D+01
      2   0.622783D+01 -0.225202D+02  0.345517D+01  0.319121D+01  0.493623D+01
      3   0.778200D+01 -0.523172D+01 -0.460284D+01 -0.973608D+01 -0.849199D+00
               211           212           213           214           215 
      1  -0.346097D+01 -0.556622D+01 -0.610888D+01 -0.345293D+01 -0.324660D+01
      2   0.322612D+01  0.734528D+01  0.623847D+01  0.341044D+01  0.677571D+01
      3  -0.293267D+01 -0.188594D+02 -0.472763D+01 -0.774895D+00 -0.104576D+02
               216           217           218           219           220 
      1  -0.347332D+01  0.225100D+00 -0.426127D+00 -0.260149D-01  0.104644D+00
      2   0.424182D+01 -0.865744D+01  0.274748D+00  0.111284D+02 -0.855093D-01
      3  -0.447334D+01 -0.589392D+00 -0.458095D+01 -0.351205D+00 -0.457165D+01
               221           222           223           224           225 
      1   0.345880D-01 -0.935997D+00 -0.598772D+00  0.270401D+01  0.936493D+00
      2  -0.201982D+01  0.757088D+00  0.158371D+02 -0.809680D-01 -0.361080D+02
      3   0.941022D+00  0.170991D+01 -0.729240D+00  0.705343D+01 -0.198661D+00
               226           227           228           229           230 
      1  -0.672105D+00  0.709334D+00  0.471235D+00  0.766778D+00 -0.241054D+01
      2   0.407834D+01 -0.244734D+01  0.544309D+01 -0.408138D+01  0.103694D+02
      3   0.894631D+01 -0.112986D+02  0.293122D+01 -0.147930D+02  0.333468D+02
               231           232           233           234           235 
      1  -0.182738D+01 -0.231483D+00  0.185904D+01  0.238293D+00  0.258791D+00
      2  -0.101843D+02  0.661936D+01 -0.673157D+01  0.552943D+01  0.797457D+01
      3  -0.107810D+02  0.442748D+01 -0.129442D+02  0.651146D+01 -0.120044D+02
               236           237           238           239           240 
      1   0.844020D+00 -0.966561D+00  0.229224D+00  0.117611D+01 -0.170846D+01
      2   0.442183D+01  0.972992D+01  0.696573D+01  0.918602D+01  0.104624D+02
      3  -0.134486D+02 -0.504020D+01 -0.164282D+02 -0.199011D+02 -0.984846D+01
               241           242           243           244           245 
      1  -0.648384D+00  0.159976D+01 -0.735344D+00  0.283416D+00 -0.365088D+00
      2   0.111250D+02  0.685435D+01  0.857120D+01 -0.590093D+01  0.849746D-01
      3  -0.715280D+01 -0.124541D+02 -0.693805D+01 -0.283000D+01 -0.196257D+01
               246           247           248           249           250 
      1  -0.888668D+00 -0.448622D-02 -0.667509D-01 -0.116425D+01 -0.134094D+01
      2   0.392992D+01  0.388700D+00 -0.263476D+01  0.435814D+01  0.690666D+00
      3  -0.479639D+00 -0.726302D+00 -0.117519D+01  0.285257D+01 -0.136404D+01
               251           252           253           254           255 
      1   0.287967D+01  0.329735D+01 -0.207178D+01  0.122667D+01 -0.229835D+01
      2   0.387429D+01 -0.188637D+02  0.147710D+02  0.369298D+01  0.643937D+01
      3   0.433626D+01 -0.236975D+01 -0.151955D+02 -0.163701D+02  0.275529D-01
               256           257           258           259           260 
      1  -0.119071D+01 -0.613896D+01 -0.352293D+01 -0.963530D+00  0.120499D+01
      2   0.467484D+01  0.467281D+01  0.597219D+01  0.485434D+01  0.475434D+01
      3  -0.784654D+01  0.212627D+02 -0.384520D+01  0.143351D+01 -0.668198D+01
               261           262           263           264           265 
      1   0.938967D+01  0.700250D+00 -0.131154D+01  0.979395D+00 -0.278088D+01
      2  -0.190664D+02 -0.979197D+00  0.724883D+00  0.140537D+01  0.220045D+00
      3  -0.421739D+01  0.345324D+01 -0.555283D+01 -0.200819D+01 -0.516177D+01
               266           267           268           269           270 
      1   0.865966D+01 -0.266214D+01  0.284872D+00 -0.556911D+00  0.114275D+01
      2  -0.416559D+01 -0.620433D+01  0.303606D+00 -0.162685D+01 -0.110406D+01
      3   0.312615D+02  0.640860D+01  0.158494D+01 -0.562996D+01  0.156098D+01
               271           272           273           274           275 
      1   0.120296D+01  0.662852D+00 -0.253383D+01  0.797243D+00  0.670230D+00
      2  -0.786521D+01 -0.297309D+00  0.841537D+01 -0.895607D+00 -0.127427D+01
      3   0.144553D+02 -0.649181D+01 -0.110336D+01 -0.313495D+01 -0.911967D+00
               276           277           278           279           280 
      1  -0.228786D+00 -0.189247D+01  0.627881D+00 -0.118045D+00  0.142924D+01
      2  -0.448184D+00  0.409842D+01 -0.264786D-01 -0.725356D-01 -0.102051D+01
      3   0.812499D+00 -0.147754D+01  0.203927D+01  0.156904D+01 -0.506937D+01
               281           282           283           284           285 
      1  -0.896991D+00  0.184364D+01 -0.447213D+00  0.523512D+01 -0.440805D+01
      2  -0.991339D+00 -0.144205D+01 -0.882276D+00  0.150737D+00  0.330618D+01
      3   0.904813D+01 -0.170126D+00  0.557892D+01 -0.310692D+02  0.571571D+00
               286           287           288           289           290 
      1   0.727341D+00 -0.934106D+00  0.428881D+00 -0.162250D+01 -0.679832D+00
      2  -0.167355D+01  0.232353D+01  0.439730D+00  0.411156D+01 -0.760933D-01
      3  -0.134072D+01  0.447762D+01 -0.267477D+01  0.124146D+01  0.106466D+01
               291           292           293           294           295 
      1   0.549343D+00 -0.333890D+00 -0.220368D+01  0.865537D+00 -0.150158D+00
      2  -0.188795D+01  0.158015D+01  0.168097D+01 -0.330799D+01 -0.221789D+01
      3   0.106433D+01  0.950864D+00  0.390911D+00 -0.139645D+01  0.154041D+01
               296           297 
      1   0.363199D+01 -0.115849D+02
      2   0.376597D+00  0.250875D+02
      3  -0.505410D+01  0.438344D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.328897D+01 -0.713796D+01  0.197024D+02  0.182066D+02 -0.321843D+01
      2   0.702142D+01  0.320100D+01 -0.786880D+01 -0.466054D+01  0.424488D+01
      3  -0.373245D+01  0.393696D+01 -0.118336D+02 -0.135460D+02 -0.102645D+01
      4  -0.455893D+00  0.242024D+01 -0.822215D-01  0.906284D+01  0.479370D+01
      5   0.181203D+02  0.934254D+00 -0.724029D+01 -0.451851D+01 -0.246325D+01
      6  -0.169105D+00 -0.290784D+01  0.211313D+00 -0.678685D+00  0.372504D+01
                 6             7             8             9            10 
      1  -0.163384D+02 -0.253781D+02 -0.897195D+01  0.431047D+01  0.561644D+02
      2   0.108562D+01  0.410557D+01  0.136701D+01  0.432740D+01 -0.221100D+02
      3   0.152528D+02  0.212725D+02  0.760494D+01 -0.863787D+01 -0.340544D+02
      4  -0.402087D+01  0.434351D+01 -0.227098D+01 -0.468418D+01 -0.133536D+02
      5  -0.375133D+01  0.772994D+01 -0.425349D+01  0.675396D+01 -0.595150D+01
      6   0.122783D+02 -0.669087D+01  0.539100D+01  0.140409D+02  0.237793D+01
                11            12            13            14            15 
      1   0.749827D+01 -0.129620D+01  0.923250D+01 -0.445774D+00  0.565939D+01
      2  -0.667943D+01  0.333199D+01 -0.996841D+01  0.636856D+01 -0.886692D+00
      3  -0.818846D+00 -0.203579D+01  0.735905D+00 -0.592278D+01 -0.477270D+01
      4   0.574670D+00 -0.373696D+01  0.181903D+02 -0.569977D+01 -0.842349D+00
      5  -0.443490D+01  0.592341D+01  0.985646D+01 -0.718173D+00 -0.198677D+01
      6   0.432470D+00 -0.672385D+01 -0.489970D+01  0.398341D+01  0.844985D+01
                16            17            18            19            20 
      1  -0.885213D+01  0.572016D+01 -0.162735D+02  0.641150D+00  0.433943D+01
      2  -0.128002D-01  0.505038D+01  0.665514D+00 -0.247679D+01 -0.205326D+01
      3   0.886493D+01 -0.107705D+02  0.156080D+02  0.183564D+01 -0.228618D+01
      4   0.132736D+02  0.165647D+01 -0.235607D+01  0.274362D+01  0.260587D+00
      5  -0.113470D+02 -0.199094D+01 -0.514164D+01 -0.152854D+02  0.256215D+01
      6  -0.480321D+01  0.107769D+01 -0.470193D+01  0.324414D+01  0.461788D+01
                21            22            23            24            25 
      1  -0.245289D+02 -0.972177D+01 -0.545984D+01 -0.600380D+01  0.242002D+02
      2   0.672595D+01 -0.165757D+01  0.637135D+01 -0.997786D-01 -0.123994D+01
      3   0.178030D+02  0.113793D+02 -0.911508D+00  0.610358D+01 -0.229603D+02
      4   0.252817D+01  0.345613D+01 -0.161912D+01  0.387718D+01  0.463489D+01
      5  -0.182226D+01  0.153766D+01  0.211798D+01  0.600723D+01  0.107764D+02
      6   0.527726D+01  0.265431D+01  0.265549D+01  0.809211D+01  0.995036D+01
                26            27            28            29            30 
      1  -0.814365D+01  0.710103D+01  0.196528D+02 -0.121839D+01  0.102835D+01
      2   0.160847D+01 -0.207220D+01 -0.434210D+01  0.575737D+01  0.115002D+01
      3   0.653518D+01 -0.502882D+01 -0.153107D+02 -0.453898D+01 -0.217836D+01
      4   0.349749D+01  0.674622D+01  0.249253D+02  0.956053D+00 -0.235289D+01
      5   0.499825D+01 -0.467021D+01  0.157324D+01 -0.169494D+01  0.610688D+01
      6   0.219642D+01  0.101140D+02  0.399851D+01 -0.122577D+01  0.469328D+01
                31            32            33            34            35 
      1  -0.483558D+00 -0.130813D+01  0.725846D+01 -0.822005D+01  0.945955D+01
      2   0.644839D+01  0.513352D+01 -0.188579D+01  0.215064D+01  0.306192D+01
      3  -0.596483D+01 -0.382539D+01 -0.537267D+01  0.606941D+01 -0.125215D+02
      4   0.169277D+02 -0.905213D-01  0.165630D+01  0.107355D+02  0.536439D+01
      5   0.111123D+02  0.279464D+00  0.159282D+01 -0.149753D+02  0.288379D+01
      6  -0.117220D+01  0.378046D+01  0.608833D+01 -0.120982D+01  0.137713D+01
                36            37            38            39            40 
      1  -0.194438D+02  0.968766D+01 -0.118018D+02  0.223906D+02  0.465070D+01
      2   0.240604D+01 -0.923456D-01  0.109815D+02 -0.117739D+02  0.429930D+01
      3   0.170378D+02 -0.959531D+01  0.820290D+00 -0.106167D+02 -0.894999D+01
      4   0.103325D+01 -0.868601D+01 -0.101924D+01  0.426563D+01  0.156767D+02
      5  -0.330129D+01  0.125499D+02  0.221285D+01 -0.871841D+01 -0.156840D+01
      6  -0.757979D+01 -0.517840D+00 -0.537650D+01  0.475719D+01 -0.427126D+00
                41            42            43            44            45 
      1  -0.109672D+02 -0.689066D+01 -0.192122D+02 -0.482588D+01  0.869507D+01
      2   0.168844D+02 -0.106188D+02  0.177838D+01 -0.293926D+01 -0.100933D+01
      3  -0.591725D+01  0.175094D+02  0.174338D+02  0.776514D+01 -0.768574D+01
      4   0.663387D+01 -0.287851D+01 -0.240332D+01 -0.246961D+01 -0.682145D+01
      5  -0.157228D+01 -0.293667D+01  0.641756D+01 -0.615609D+01  0.894172D+01
      6  -0.635551D+01  0.614686D+01 -0.104127D+02  0.690548D+00  0.909209D+01
                46            47            48            49            50 
      1  -0.733090D+01  0.911318D+01 -0.241516D+02 -0.637117D+01 -0.158267D+02
      2   0.232863D+01 -0.833600D+01  0.780491D+01 -0.526396D+01  0.218723D+02
      3   0.500228D+01 -0.777177D+00  0.163467D+02  0.116351D+02 -0.604562D+01
      4   0.893609D+01  0.558886D+00  0.452942D+01  0.557084D+01 -0.593524D+01
      5  -0.131768D+02  0.524230D+01 -0.324810D+01  0.603762D+01  0.183544D+01
      6   0.404459D+01  0.480322D+01 -0.371873D+01 -0.473730D+00 -0.584665D+01
                51            52            53            54            55 
      1   0.294620D+01  0.368627D+02 -0.391734D+01  0.775714D+01 -0.427826D+02
      2  -0.104279D+02 -0.997411D+01 -0.194180D+00 -0.463313D+01  0.142359D+02
      3   0.748173D+01 -0.268886D+02  0.411152D+01 -0.312401D+01  0.285467D+02
      4   0.106761D+01 -0.309377D+01 -0.904108D+00  0.766346D+01  0.473651D+01
      5   0.654656D+01  0.262334D+01  0.676188D+01 -0.674824D+01 -0.893704D+00
      6   0.407152D+01  0.115253D+02 -0.271195D+01  0.736773D+01  0.155382D+01
                56            57            58            59            60 
      1  -0.831017D+01 -0.243036D+01 -0.384748D+02 -0.274866D+02 -0.335207D+01
      2   0.644449D+01 -0.198185D+01  0.274833D+02  0.247333D+01  0.432918D+01
      3   0.186568D+01  0.441221D+01  0.109915D+02  0.250132D+02 -0.977111D+00
      4  -0.230704D+02  0.372510D+00 -0.491549D+02  0.287851D+02 -0.113978D+02
      5   0.282964D+00 -0.979781D+01 -0.272707D+01 -0.115601D+02  0.152969D+01
      6   0.642486D+00  0.163599D+01 -0.103185D+01  0.444825D+01 -0.636231D-01
                61            62            63            64            65 
      1  -0.283095D+02 -0.644894D+01 -0.599815D+01 -0.424527D+02  0.143988D+02
      2   0.347586D+01  0.642722D+01  0.120277D+02  0.283305D+02 -0.262077D+01
      3   0.248337D+02  0.217226D-01 -0.602955D+01  0.141222D+02 -0.117780D+02
      4  -0.412702D+01 -0.197727D+02  0.770945D+01  0.155902D+02  0.277140D+02
      5  -0.237743D+02  0.520063D+01  0.413544D+02 -0.246053D+01  0.303154D+01
      6   0.376178D+01 -0.201209D+01 -0.667404D+01  0.102514D+01 -0.246256D+01
                66            67            68            69            70 
      1  -0.315526D+01  0.530558D+02  0.474321D+02 -0.532427D+00  0.184089D+02
      2  -0.812366D+00 -0.229009D+02 -0.252397D+02  0.201072D+01 -0.611270D+01
      3   0.396762D+01 -0.301549D+02 -0.221924D+02 -0.147829D+01 -0.122962D+02
      4   0.257519D+01  0.457588D+02 -0.141763D+02  0.141313D+02  0.528895D+01
      5   0.178243D+02  0.664007D+01  0.159334D+02  0.277656D+01  0.360567D+02
      6   0.325730D+01  0.310337D+01  0.457190D+01 -0.637287D+00  0.298764D+01
                71            72            73            74            75 
      1   0.136174D+01  0.333335D+02  0.528431D+02 -0.779689D+01 -0.752772D+01
      2   0.341480D+01 -0.928280D+01 -0.363803D+02 -0.693223D+01 -0.507341D+00
      3  -0.477655D+01 -0.240507D+02 -0.164629D+02  0.147291D+02  0.803506D+01
      4   0.178993D+02  0.532212D+01 -0.466435D+01 -0.291712D+02 -0.863794D+01
      5   0.452345D+01 -0.598142D+02 -0.736302D+01 -0.649405D+01 -0.122690D+02
      6   0.542487D+01 -0.682284D+01 -0.733265D+01 -0.276357D+01 -0.907362D+01
                76            77            78            79            80 
      1  -0.124233D+02 -0.308597D+02  0.236989D+01 -0.119329D+02  0.124186D+01
      2  -0.627389D+01  0.115743D+02 -0.112350D+02 -0.204655D+01 -0.138109D+02
      3   0.186972D+02  0.192854D+02  0.886511D+01  0.139795D+02  0.125690D+02
      4  -0.358775D+02 -0.158741D+02 -0.198585D+02 -0.859391D+01 -0.282575D+02
      5  -0.681255D+01 -0.191045D+02 -0.934730D+01 -0.211035D+02 -0.159900D+02
      6  -0.548544D+01 -0.166503D+02 -0.446136D+01 -0.111074D+02 -0.930115D+01
                81            82            83            84            85 
      1  -0.821918D+01  0.501927D+02 -0.182118D+02 -0.493199D+01 -0.305542D+02
      2   0.822116D+01 -0.272197D+02  0.861082D+01  0.754418D+00  0.145353D+02
      3  -0.198710D-02 -0.229729D+02  0.960098D+01  0.417757D+01  0.160189D+02
      4  -0.207324D+02 -0.214628D+02 -0.397213D+02 -0.639085D+01 -0.607485D+02
      5   0.419622D+02 -0.857413D+01 -0.686412D+01 -0.330024D+02 -0.108105D+02
      6   0.205028D+02 -0.166871D+01 -0.468290D+01 -0.202918D+01 -0.929059D+01
                86            87            88            89            90 
      1  -0.534420D+02 -0.662528D+01 -0.143230D+02 -0.634928D+01 -0.441388D+02
      2   0.262435D+02  0.235999D+01  0.291988D+01  0.225333D+01  0.247148D+02
      3   0.271985D+02  0.426529D+01  0.114031D+02  0.409594D+01  0.194241D+02
      4   0.238006D+02 -0.410853D+02 -0.101231D+02 -0.396934D+02 -0.523015D+01
      5  -0.440689D+02 -0.417849D+01 -0.534611D+02 -0.415827D+01  0.514449D+02
      6   0.292060D+00 -0.458724D+01 -0.359742D+01 -0.532611D+01  0.147100D+01
                91            92            93            94            95 
      1   0.889196D+01 -0.172825D+01 -0.264080D+00 -0.103635D+02 -0.165399D+02
      2  -0.843433D+01 -0.383156D+01 -0.160262D+01  0.570474D+01  0.677903D+01
      3  -0.457631D+00  0.555981D+01  0.186670D+01  0.465878D+01  0.976089D+01
      4  -0.188480D+02 -0.143357D+02 -0.748764D+01 -0.403370D+02  0.163564D+02
      5  -0.548720D+01 -0.686591D+01 -0.795711D+01 -0.129358D+02 -0.113702D+01
      6  -0.471542D+01 -0.231582D+01 -0.484581D+01 -0.230859D+01 -0.492934D+01
                96            97            98            99           100 
      1  -0.629895D+01 -0.144242D+02 -0.872646D+01 -0.112113D+01 -0.462778D+01
      2   0.415636D+00 -0.331028D+00 -0.227920D+01  0.742043D+01  0.194398D+00
      3   0.588332D+01  0.147552D+02  0.110057D+02 -0.629930D+01  0.443338D+01
      4  -0.670388D+00 -0.194538D+02 -0.118520D+02 -0.150782D+02  0.143015D+02
      5  -0.134856D+02 -0.140478D+02 -0.143097D+02  0.316702D+02 -0.162882D+02
      6  -0.248615D+01 -0.771527D+01 -0.267272D+01  0.896601D+01  0.504628D+01
               101           102           103           104           105 
      1   0.580214D+01 -0.771774D+01  0.194919D+02  0.467583D+01  0.104648D+02
      2   0.632456D+00  0.581007D+01 -0.160118D+02  0.363745D+01 -0.356071D+01
      3  -0.643459D+01  0.190767D+01 -0.348005D+01 -0.831328D+01 -0.690411D+01
      4  -0.363722D+01  0.721086D+01  0.747479D+00 -0.185417D+02 -0.112285D+01
      5   0.660814D+01 -0.386220D+01  0.641483D+01 -0.502416D+00  0.281373D+02
      6  -0.531409D+01  0.662609D+01 -0.723286D+00 -0.325013D+01 -0.169448D+02
               106           107           108           109           110 
      1  -0.252333D+02  0.114033D+02 -0.632458D+01  0.448044D+02 -0.133781D+02
      2   0.783944D+01  0.620742D+01  0.450814D+01 -0.213462D+02  0.386227D+01
      3   0.173939D+02 -0.176107D+02  0.181645D+01 -0.234582D+02  0.951584D+01
      4   0.242042D+02 -0.272403D+02  0.218643D+02 -0.253018D+02  0.217366D+02
      5  -0.221921D+02  0.198017D+02 -0.224998D+02  0.326239D+02 -0.609626D+01
      6   0.123000D+02 -0.187788D+02  0.472163D+01 -0.114470D+02  0.414816D+01
               111           112           113           114           115 
      1   0.251010D+02 -0.154138D+02  0.319294D+01 -0.219143D+01  0.417613D+02
      2  -0.151465D+02  0.278454D+01  0.804648D+01 -0.366210D+00 -0.197694D+02
      3  -0.995459D+01  0.126293D+02 -0.112394D+02  0.255764D+01 -0.219919D+02
      4  -0.102567D+02  0.244791D+02 -0.224499D+02  0.170146D+02 -0.264014D+02
      5   0.231503D+02 -0.123678D+02  0.162097D+02 -0.213146D+02  0.372109D+02
      6  -0.757564D+01  0.592276D+01 -0.112018D+02  0.181580D+02 -0.117975D+02
               116           117           118           119           120 
      1  -0.465876D+01  0.112462D+02  0.168198D+00 -0.108486D+02 -0.138815D+02
      2  -0.554735D+01 -0.157879D+02 -0.322599D+01  0.134714D+02  0.868358D+01
      3   0.102061D+02  0.454175D+01  0.305779D+01 -0.262277D+01  0.519790D+01
      4   0.374450D+02 -0.191128D+02  0.557161D+00 -0.777674D+01  0.328625D+01
      5  -0.174365D+02  0.598709D+02 -0.918095D+01 -0.151915D+01  0.609211D+01
      6   0.174348D+02 -0.271256D+02  0.377313D+01  0.546772D+01  0.110423D+01
               121           122           123           124           125 
      1  -0.370605D+01 -0.726631D+01 -0.621791D+01 -0.135006D+02 -0.837268D+01
      2   0.139402D+02 -0.168728D+02  0.192264D+01  0.811357D+01  0.647471D+01
      3  -0.102341D+02  0.241391D+02  0.429527D+01  0.538703D+01  0.189798D+01
      4  -0.130798D+02  0.476363D+02 -0.301318D+01  0.127947D+02 -0.152498D+02
      5   0.197041D+01 -0.245285D+01 -0.554703D+01  0.198456D+02 -0.192017D+02
      6   0.277930D+01  0.241266D+01  0.114268D+02 -0.728380D+01  0.215970D+02
               126           127           128           129           130 
      1  -0.914249D+01 -0.637871D+00 -0.589050D-01  0.386037D+01 -0.272069D+01
      2  -0.725855D+01 -0.528664D+01 -0.122347D+01  0.552887D+01 -0.456484D+00
      3   0.164010D+02  0.592451D+01  0.128238D+01 -0.938924D+01  0.317717D+01
      4  -0.170050D+02  0.104404D+01  0.258443D+01 -0.830498D+00  0.129736D+01
      5  -0.360412D+02 -0.926941D+01 -0.252111D+01  0.121275D+02 -0.284078D+01
      6   0.244518D+02  0.214036D+00 -0.180056D+01 -0.629921D+00 -0.118114D+01
               131           132           133           134           135 
      1  -0.364679D+01  0.799371D+01  0.340283D+01  0.477137D+01 -0.247868D+02
      2  -0.246803D+00  0.313700D+01  0.678132D+01  0.184137D+01 -0.144025D+02
      3   0.389359D+01 -0.111307D+02 -0.101842D+02 -0.661274D+01  0.391893D+02
      4   0.116659D+01 -0.140438D+01 -0.190497D+01 -0.341411D+01  0.193862D+01
      5  -0.266486D+01  0.422338D+01  0.122743D+02  0.389718D+01 -0.190577D+02
      6  -0.297940D+01  0.229641D+01  0.912109D+00  0.606827D+01 -0.251781D+01
               136           137           138           139           140 
      1   0.398257D+01 -0.647413D-01 -0.210925D+01  0.129592D+00 -0.204826D+01
      2  -0.566443D+01  0.940925D+00 -0.414674D+01  0.205622D+01 -0.711138D-01
      3   0.168186D+01 -0.876184D+00  0.625599D+01 -0.218581D+01  0.211937D+01
      4  -0.257566D+01  0.402099D+01 -0.112625D+01  0.251621D+01 -0.301398D+01
      5   0.113047D+02 -0.287322D+01  0.100978D+02 -0.465217D+01  0.325842D+01
      6  -0.308874D+00  0.197158D+01 -0.781945D+00  0.780459D+00 -0.295805D+01
               141           142           143           144           145 
      1   0.507771D+01 -0.335635D+01  0.410892D+01 -0.129227D+02 -0.248226D+01
      2   0.218077D+01 -0.537394D+01  0.839607D+00 -0.840741D+01 -0.299406D+01
      3  -0.725848D+01  0.873028D+01 -0.494852D+01  0.213301D+02  0.547632D+01
      4   0.142431D+01 -0.193700D+01  0.348823D+01 -0.245610D+01  0.549253D+01
      5  -0.577578D+01  0.126024D+02 -0.423016D+01  0.161516D+02 -0.961386D+01
      6   0.220000D+01 -0.165917D+01  0.508519D+01 -0.341147D+01 -0.570945D+01
               146           147           148           149           150 
      1  -0.199301D+01  0.583388D+01 -0.277747D+01 -0.523983D+01  0.927369D+01
      2   0.514718D+00  0.308886D+01 -0.482068D+00  0.140140D+01  0.468814D+00
      3   0.147829D+01 -0.892274D+01  0.325954D+01  0.383842D+01 -0.974250D+01
      4   0.388700D+01 -0.549138D+01  0.243646D+01  0.204005D+01 -0.294522D+01
      5  -0.365600D+01  0.124046D+02 -0.348758D+01 -0.278259D+01  0.433731D+01
      6  -0.374075D+01  0.637689D+01 -0.299425D+01 -0.562704D+01  0.900851D+01
               151           152           153           154           155 
      1   0.755543D+01  0.112634D+02 -0.303852D+02  0.283689D+01  0.298668D+01
      2   0.223511D+01 -0.329001D+01 -0.603287D+01 -0.324626D+01 -0.279490D+01
      3  -0.979055D+01 -0.797341D+01  0.364181D+02  0.409375D+00 -0.191780D+00
      4  -0.616208D+01 -0.548445D+01  0.805232D+01 -0.108561D+02  0.798806D+01
      5   0.116356D+02  0.544436D+01 -0.183207D+02  0.156213D+02 -0.623237D+01
      6   0.843196D+01  0.132632D+02 -0.234934D+02 -0.884501D+01  0.623825D+01
               156           157           158           159           160 
      1  -0.251870D+01  0.372266D+00 -0.413021D+01  0.566952D+01 -0.384407D+01
      2  -0.212766D+01  0.969230D+00  0.244712D+01  0.379521D-01 -0.256866D+01
      3   0.464636D+01 -0.134150D+01  0.168308D+01 -0.570747D+01  0.641274D+01
      4  -0.841418D+01  0.539568D+01 -0.579942D+01  0.592774D+01 -0.893011D+01
      5   0.142105D+02 -0.728879D+01  0.513773D+01 -0.834523D+01  0.154068D+02
      6  -0.902937D+01  0.548998D+01 -0.635717D+01  0.867607D+01 -0.102713D+02
               161           162           163           164           165 
      1   0.857668D+01 -0.161722D+02  0.794135D+01  0.349288D+00 -0.701138D+01
      2  -0.412489D+01 -0.269371D+01 -0.777838D+01 -0.626529D+00  0.641082D+01
      3  -0.445179D+01  0.188659D+02 -0.162966D+00  0.277241D+00  0.600552D+00
      4   0.770299D+01 -0.106048D+02 -0.185776D+01  0.728088D+01  0.402490D+01
      5  -0.777051D+01  0.203935D+02 -0.132578D+02  0.276369D+01  0.151392D+02
      6   0.120453D+02 -0.183042D+02  0.191080D+01 -0.144821D+01 -0.203188D+01
               166           167           168           169           170 
      1   0.856420D+01  0.146604D+01 -0.190803D+01 -0.164582D+02 -0.335271D+01
      2  -0.540948D+01 -0.223356D+00  0.144805D+01  0.142924D+02  0.660759D+00
      3  -0.315472D+01 -0.124269D+01  0.459974D+00  0.216576D+01  0.269195D+01
      4   0.710403D+01 -0.385221D+01 -0.406520D+01  0.592527D+01 -0.961970D+01
      5  -0.120867D+01 -0.439983D+01  0.205903D+01  0.224978D+02 -0.849311D+01
      6  -0.141323D+01  0.117595D+01  0.519435D+01 -0.522714D+01  0.686892D+01
               171           172           173           174           175 
      1  -0.603110D+01  0.218351D+02 -0.841415D+01  0.373806D+01 -0.158973D+02
      2  -0.137045D+02 -0.460881D+01 -0.669042D+00 -0.870893D+00 -0.219723D+01
      3   0.197356D+02 -0.172263D+02  0.908320D+01 -0.286716D+01  0.180946D+02
      4  -0.112627D+02 -0.211542D+02  0.242288D+02 -0.151607D+01  0.354839D+02
      5  -0.452382D+02  0.438456D+01 -0.363781D+00  0.505380D+01 -0.110716D+01
      6   0.120023D+02 -0.106125D+01 -0.249994D+00 -0.125843D+01  0.463700D+00
               176           177           178           179           180 
      1  -0.469064D+00  0.341479D+00  0.205208D+02  0.119384D+01  0.109209D+01
      2   0.216955D+02 -0.251482D+01 -0.624273D+01 -0.469241D+01 -0.242000D+00
      3  -0.212264D+02  0.217334D+01 -0.142781D+02  0.349857D+01 -0.850093D+00
      4  -0.520015D+02  0.593468D+01 -0.988732D+01  0.161366D+02 -0.863480D+01
      5   0.535622D+01 -0.636397D+01  0.857752D+01 -0.751218D+01  0.219597D+01
      6  -0.109745D+01  0.492012D+01 -0.331004D+01  0.543909D+01 -0.226652D+01
               181           182           183           184           185 
      1  -0.201821D+01 -0.292385D+01  0.106673D+02 -0.920417D+01 -0.112158D+02
      2  -0.252751D+01  0.439636D+00 -0.282999D+01  0.404193D+01  0.532566D+01
      3   0.454572D+01  0.248421D+01 -0.783732D+01  0.516224D+01  0.589014D+01
      4  -0.469837D+01 -0.417860D+01  0.956023D-01 -0.277933D+01  0.100410D+01
      5   0.675723D+01 -0.254252D+00 -0.212828D+01  0.969548D+00  0.417489D+01
      6   0.120067D+01  0.121798D+00 -0.147806D+01 -0.499591D+00 -0.225409D-01
               186           187           188           189           190 
      1  -0.231517D-01  0.225778D+02 -0.453796D+00 -0.229902D+02 -0.546215D+02
      2   0.773773D+00 -0.102040D+02  0.142437D+01 -0.901213D+01  0.313371D+02
      3  -0.750622D+00 -0.123738D+02 -0.970571D+00  0.320023D+02  0.232844D+02
      4   0.368922D+01  0.187173D+01  0.728286D+01 -0.203986D+01 -0.168718D+02
      5  -0.882773D+00  0.420974D+00 -0.658772D+00  0.513701D+02  0.332946D+01
      6   0.689103D+01 -0.120624D+00  0.373760D+01  0.639207D+01  0.255036D+01
               191           192           193           194           195 
      1   0.153052D+02  0.253852D+01  0.690685D+01 -0.949528D+01 -0.734606D+00
      2  -0.157767D+02 -0.121086D+01 -0.735144D+01  0.938336D+01  0.162130D+01
      3   0.471478D+00 -0.132766D+01  0.444596D+00  0.111916D+00 -0.886692D+00
      4  -0.534541D+01  0.236447D+01  0.286511D+01  0.223753D+00  0.195551D+01
      5   0.107864D+01 -0.220748D+01 -0.634100D-01  0.232985D+01  0.105729D+01
      6   0.235523D+00 -0.394481D+01  0.656430D+00  0.114238D+01  0.222994D+01
               196           197           198           199           200 
      1   0.415234D+01 -0.261460D+01 -0.507163D+01  0.230467D+01  0.186518D+01
      2  -0.138649D+01  0.325845D+01  0.190476D+01 -0.166221D+01  0.146539D+01
      3  -0.276584D+01 -0.643850D+00  0.316687D+01 -0.642458D+00 -0.333057D+01
      4   0.125733D+01  0.375701D+01  0.237357D+01  0.582353D+01  0.961898D+01
      5   0.171559D+01  0.324408D+01 -0.332302D+01 -0.963846D+01 -0.343501D+01
      6  -0.175769D+01  0.374229D+01 -0.121371D+01 -0.342443D+01 -0.193310D+01
               201           202           203           204           205 
      1  -0.629386D+01 -0.671250D+00 -0.832978D+00  0.262007D+01 -0.124718D+02
      2   0.513845D+01  0.238068D+01  0.238716D+01 -0.260820D+01  0.838334D+01
      3   0.115541D+01 -0.170943D+01 -0.155418D+01 -0.118702D-01  0.408845D+01
      4  -0.516107D+01  0.604902D+01  0.680897D+01 -0.461733D+01 -0.965859D+01
      5   0.139531D+02 -0.273531D+00 -0.494368D+01  0.295117D+01  0.161160D+02
      6   0.526548D+01 -0.144579D+01 -0.287083D+01  0.771942D+01  0.733778D+01
               206           207           208           209           210 
      1   0.639345D+01 -0.720670D+01  0.141909D+02  0.901674D+01  0.539035D+01
      2  -0.639804D+01 -0.822708D+01  0.166274D+01  0.844720D+01  0.115663D+00
      3   0.458659D-02  0.154338D+02 -0.158537D+02 -0.174639D+02 -0.550602D+01
      4  -0.155901D+02  0.170329D+02  0.270064D+02  0.346662D+02  0.871961D+01
      5   0.149393D+02 -0.499206D+02  0.801758D+01  0.622386D+01  0.960385D+01
      6   0.131240D+02 -0.284004D+02  0.511714D+01  0.500707D+01  0.649677D+01
               211           212           213           214           215 
      1   0.100948D+02 -0.255506D+01 -0.735966D+00  0.106116D+02 -0.181795D+01
      2   0.788822D+01  0.311144D+02  0.763704D+01 -0.746682D+00  0.124986D+02
      3  -0.179830D+02 -0.285594D+02 -0.690108D+01 -0.986489D+01 -0.106807D+02
      4   0.343079D+02  0.562896D+02  0.151245D+02  0.169577D+02  0.281318D+02
      5   0.670671D+01  0.135568D+02  0.111244D+02  0.114077D+02  0.140456D+02
      6   0.556552D+01  0.120555D+02  0.103613D+02  0.747979D+01  0.122849D+02
               216           217           218           219           220 
      1   0.114075D+01  0.259771D+02  0.125328D+01 -0.179166D+02  0.389442D+01
      2   0.219151D+01 -0.153161D+02 -0.498922D+00  0.102393D+02 -0.175929D+01
      3  -0.333226D+01 -0.106610D+02 -0.754355D+00  0.767733D+01 -0.213514D+01
      4   0.159114D+02  0.198384D+01  0.862995D+01  0.404657D+00  0.144515D+02
      5   0.913708D+01 -0.187607D+02  0.741598D+00  0.235224D+02 -0.106241D+00
      6   0.808952D+01 -0.299189D+00  0.295455D+00  0.323400D+00 -0.100954D+01
               221           222           223           224           225 
      1   0.976313D+01  0.530664D+00 -0.517280D+02  0.187070D+01  0.288099D+02
      2  -0.487095D+01 -0.511072D+00  0.305769D+02 -0.164389D+01 -0.238049D+02
      3  -0.489217D+01 -0.195927D-01  0.211512D+02 -0.226813D+00 -0.500501D+01
      4  -0.169809D+01 -0.423459D+01  0.180895D-01 -0.125865D+02  0.885619D+00
      5  -0.398863D+01  0.153983D+01  0.437810D+02 -0.607231D-01 -0.707528D+02
      6  -0.587466D+00  0.418662D+01  0.159221D+01  0.443244D+01 -0.206413D+01
               226           227           228           229           230 
      1   0.255503D+02 -0.190585D+02  0.939628D+01 -0.462432D+02  0.295382D+02
      2  -0.121355D+02  0.899207D+01 -0.502904D+01  0.224414D+02 -0.905568D+01
      3  -0.134148D+02  0.100665D+02 -0.436725D+01  0.238018D+02 -0.204825D+02
      4  -0.196181D+02  0.239373D+02 -0.654750D+01  0.414091D+02 -0.643395D+02
      5   0.108781D+02 -0.723673D+01  0.116305D+02 -0.143795D+02  0.228699D+02
      6  -0.229503D+01  0.177132D+01 -0.857700D+00  0.422028D+01 -0.661424D+01
               231           232           233           234           235 
      1  -0.870042D+01  0.211307D+02 -0.740895D+01  0.130510D+02  0.597348D+02
      2   0.535086D+01 -0.116747D+02  0.443847D+01 -0.937866D+01 -0.289687D+02
      3   0.334957D+01 -0.945604D+01  0.297048D+01 -0.367229D+01 -0.307660D+02
      4   0.215524D+02 -0.113040D+02  0.242915D+02 -0.132996D+02  0.319180D+02
      5  -0.199561D+02  0.205781D+02 -0.144364D+02  0.126492D+02  0.237077D+02
      6   0.573287D+01 -0.223996D+01  0.600716D+01 -0.401515D+01  0.491060D+01
               236           237           238           239           240 
      1   0.264051D+02  0.189156D+02  0.593469D+02  0.291012D+02  0.136473D+02
      2  -0.117788D+02 -0.101347D+02 -0.268987D+02 -0.846341D+01 -0.699520D+01
      3  -0.146264D+02 -0.878094D+01 -0.324482D+02 -0.206377D+02 -0.665210D+01
      4   0.279462D+02  0.118011D+02  0.452073D+02  0.409074D+02  0.207396D+02
      5   0.122067D+02  0.205621D+02  0.220301D+02  0.212061D+02  0.214589D+02
      6   0.287666D+01  0.274816D+01  0.658376D+01  0.668753D+01  0.632643D+01
               241           242           243           244           245 
      1   0.382571D+02  0.117613D+02  0.205651D+02  0.785127D+00  0.320776D+01
      2  -0.204567D+02 -0.560478D+01 -0.136447D+02 -0.406644D+01 -0.147204D+01
      3  -0.178005D+02 -0.615648D+01 -0.692038D+01  0.328131D+01 -0.173572D+01
      4   0.190823D+02  0.239364D+02  0.152678D+02  0.602788D+01  0.575440D+01
      5   0.322737D+02  0.157173D+02  0.201570D+02 -0.117325D+02 -0.138601D+01
      6   0.560916D+01  0.638842D+01  0.564210D+01 -0.361725D+01 -0.421624D+00
               246           247           248           249           250 
      1  -0.676844D+01  0.375362D+01  0.325514D+00  0.210047D+01 -0.970451D+01
      2   0.522609D+01 -0.161007D+01  0.230302D+00 -0.456852D+00  0.925419D+01
      3   0.154235D+01 -0.214355D+01 -0.555815D+00 -0.164362D+01  0.450326D+00
      4  -0.233574D+01  0.979725D+01  0.462304D+01 -0.710093D+01 -0.490473D+01
      5   0.122392D+02 -0.208085D+01 -0.717019D+01  0.903745D+01  0.174452D+02
      6   0.221026D+01 -0.163628D+01 -0.385916D+01  0.713731D+01  0.317209D+01
               251           252           253           254           255 
      1   0.255626D+01 -0.587710D+01 -0.844772D+02 -0.144694D+02  0.777215D+01
      2   0.339011D+00 -0.131555D+02  0.422279D+02  0.168258D+02 -0.514595D+01
      3  -0.289527D+01  0.190326D+02  0.422493D+02 -0.235643D+01 -0.262620D+01
      4  -0.116849D+02  0.962728D+01 -0.216248D+02  0.242067D+02  0.794540D+01
      5   0.830422D+01 -0.413712D+02  0.992661D+01  0.461736D+01  0.101081D+02
      6   0.657334D+01 -0.119735D+02  0.850068D+01  0.381837D+01  0.397181D+01
               256           257           258           259           260 
      1   0.904263D+01  0.357437D+02 -0.490929D+00  0.254314D+02 -0.232258D-01
      2   0.302887D+01 -0.363165D+02  0.352694D+00 -0.920440D+01  0.473564D+01
      3  -0.120715D+02  0.572790D+00  0.138235D+00 -0.162270D+02 -0.471241D+01
      4   0.339225D+02 -0.156285D+02  0.109279D+02  0.186611D+02  0.181757D+02
      5   0.100918D+02  0.140600D+02  0.124421D+02  0.150180D+02  0.104654D+02
      6   0.708927D+01  0.473891D+01  0.687093D+01  0.791445D+01  0.720421D+01
               261           262           263           264           265 
      1   0.127120D+02  0.521406D+01 -0.750539D+01 -0.173845D+01 -0.522704D+01
      2   0.611055D+01  0.320607D+01 -0.345987D+01 -0.216917D+00 -0.827426D+01
      3  -0.188225D+02 -0.842013D+01  0.109653D+02  0.195537D+01  0.135013D+02
      4   0.138233D+02 -0.152022D+02  0.223252D+02  0.476120D+01  0.283664D+02
      5  -0.278832D+02 -0.546209D+01  0.602639D+01  0.447511D+01  0.736491D+01
      6  -0.893232D+01  0.363225D+01 -0.430383D+01 -0.180875D+01 -0.580398D+01
               266           267           268           269           270 
      1  -0.117342D+02 -0.353333D+01  0.670645D+00 -0.320305D-01 -0.173550D+01
      2   0.408996D+02  0.560162D+01  0.268509D+01 -0.787701D+01  0.151759D+01
      3  -0.291654D+02 -0.206829D+01 -0.335573D+01  0.790904D+01  0.217908D+00
      4  -0.685934D+02 -0.136627D+02 -0.487892D+01  0.113920D+02 -0.336247D+01
      5  -0.160146D+02 -0.128216D+02  0.194925D+01 -0.314603D+01 -0.317854D+01
      6   0.180368D+02  0.945771D+01 -0.121439D+01  0.401815D+01  0.202759D+01
               271           272           273           274           275 
      1   0.128710D+03  0.147636D+02 -0.382756D+01 -0.219308D+01  0.630646D+01
      2  -0.595884D+02 -0.240151D+01  0.134813D+01  0.409942D+01  0.385041D+00
      3  -0.691217D+02 -0.123621D+02  0.247943D+01 -0.190634D+01 -0.669150D+01
      4   0.508756D+02  0.224800D+02  0.224762D+00  0.130323D+02  0.695794D+01
      5   0.451296D+01  0.155163D+01  0.139352D+02 -0.558927D+00 -0.159298D+01
      6  -0.718803D+00  0.142859D+01  0.448172D+01  0.980597D-01 -0.259128D-01
               276           277           278           279           280 
      1   0.188871D+00 -0.169197D+02 -0.174758D+01  0.895297D+01  0.201525D+00
      2  -0.292308D+00  0.720246D+01 -0.673184D+00 -0.647862D+01  0.277162D+01
      3   0.103437D+00  0.971721D+01  0.242077D+01 -0.247435D+01 -0.297314D+01
      4  -0.174363D+01 -0.826164D+01 -0.581157D+01  0.282050D+01  0.308701D+01
      5  -0.978533D+00  0.133144D+02  0.101209D+01 -0.410061D+00 -0.226372D+01
      6   0.262659D+00  0.370359D+01  0.103164D+01 -0.149113D+00 -0.100623D+01
               281           282           283           284           285 
      1   0.146302D+02 -0.114062D+01  0.123518D+02 -0.330940D+02 -0.302088D+00
      2  -0.160795D+02  0.937133D+00 -0.552096D+01  0.540650D+02 -0.805772D+00
      3   0.144935D+01  0.203490D+00 -0.683081D+01 -0.209710D+02  0.110786D+01
      4  -0.930746D+01 -0.197269D+01  0.993693D+01  0.519501D+02 -0.274670D+00
      5  -0.146541D+00 -0.292295D+01  0.157558D+01 -0.283670D+01  0.640101D+01
      6  -0.147476D+01 -0.260731D+01 -0.138826D+00  0.427727D+01  0.713460D+01
               286           287           288           289           290 
      1  -0.538045D+01  0.222032D+01 -0.549464D+01  0.655937D+01  0.160752D+01
      2   0.167786D+01 -0.568547D+01  0.418161D+01 -0.592011D+01 -0.216376D+01
      3   0.370259D+01  0.346515D+01  0.131303D+01 -0.639258D+00  0.556243D+00
      4  -0.437899D+01 -0.946108D+01  0.335316D+01  0.399100D+00 -0.284652D+01
      5   0.446327D+00  0.450037D+01  0.451497D+00  0.329726D+01 -0.122638D+01
      6  -0.446441D+00  0.647272D+01 -0.546455D+00  0.362081D-01 -0.145468D+01
               291           292           293           294           295 
      1   0.546829D+01 -0.545930D+01 -0.584064D+01 -0.451690D+00  0.124086D+02
      2  -0.218471D+01  0.221783D+01  0.355174D+01  0.290927D+01 -0.742370D+01
      3  -0.328358D+01  0.324148D+01  0.228890D+01 -0.245758D+01 -0.498493D+01
      4   0.142235D-01 -0.335909D+01 -0.244755D+01  0.186028D+01  0.735566D+01
      5   0.482258D+00 -0.251983D+01  0.164766D+01 -0.555017D+01  0.108924D+02
      6  -0.104213D+01 -0.848650D+00  0.327545D-01  0.132842D+01  0.240323D+01
               296           297 
      1  -0.122597D+01 -0.117422D+02
      2   0.367009D+01 -0.132794D+02
      3  -0.244412D+01  0.250216D+02
      4   0.112050D+02  0.125552D+01
      5   0.228172D+01  0.451131D+02
      6   0.519304D+01  0.180941D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep 29 15:29:18 2021, MaxMem=  6442450944 cpu:           94874.4 elap:           11866.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94227 -18.88756 -10.14067 -10.03569 -10.02746
 Alpha  occ. eigenvalues --  -10.02137 -10.01529 -10.01518 -10.01278 -10.01271
 Alpha  occ. eigenvalues --  -10.01199 -10.00680 -10.00382  -9.99544  -9.99114
 Alpha  occ. eigenvalues --   -1.16172  -1.07258  -0.93282  -0.88883  -0.86417
 Alpha  occ. eigenvalues --   -0.81419  -0.81108  -0.75288  -0.74974  -0.73897
 Alpha  occ. eigenvalues --   -0.68581  -0.67236  -0.64325  -0.63100  -0.58979
 Alpha  occ. eigenvalues --   -0.57863  -0.55680  -0.55085  -0.53381  -0.52374
 Alpha  occ. eigenvalues --   -0.51693  -0.51494  -0.50326  -0.49051  -0.48559
 Alpha  occ. eigenvalues --   -0.47886  -0.46344  -0.45344  -0.45119  -0.44135
 Alpha  occ. eigenvalues --   -0.43496  -0.43009  -0.41528  -0.40700  -0.40250
 Alpha  occ. eigenvalues --   -0.40120  -0.39343  -0.38981  -0.35364  -0.33620
 Alpha  occ. eigenvalues --   -0.31712
 Alpha virt. eigenvalues --    0.02650   0.02855   0.03313   0.03753   0.03924
 Alpha virt. eigenvalues --    0.03958   0.04564   0.04655   0.05116   0.05674
 Alpha virt. eigenvalues --    0.06292   0.06490   0.06830   0.07032   0.07252
 Alpha virt. eigenvalues --    0.07335   0.08479   0.08794   0.09221   0.09528
 Alpha virt. eigenvalues --    0.10315   0.10684   0.11551   0.11982   0.12048
 Alpha virt. eigenvalues --    0.12213   0.12705   0.13013   0.13242   0.13649
 Alpha virt. eigenvalues --    0.13859   0.14073   0.14501   0.14755   0.15034
 Alpha virt. eigenvalues --    0.15245   0.15468   0.15727   0.16226   0.16848
 Alpha virt. eigenvalues --    0.16991   0.17222   0.17555   0.17830   0.17881
 Alpha virt. eigenvalues --    0.18399   0.18801   0.19395   0.19771   0.19896
 Alpha virt. eigenvalues --    0.20106   0.20481   0.20821   0.21525   0.21582
 Alpha virt. eigenvalues --    0.22041   0.22345   0.22567   0.22941   0.23530
 Alpha virt. eigenvalues --    0.24053   0.24394   0.24776   0.24936   0.25186
 Alpha virt. eigenvalues --    0.25622   0.25963   0.26747   0.27262   0.27798
 Alpha virt. eigenvalues --    0.28130   0.28311   0.28366   0.28477   0.28544
 Alpha virt. eigenvalues --    0.28937   0.29312   0.29761   0.30171   0.30440
 Alpha virt. eigenvalues --    0.30590   0.30761   0.31260   0.31799   0.31969
 Alpha virt. eigenvalues --    0.32440   0.33050   0.33394   0.33830   0.34112
 Alpha virt. eigenvalues --    0.34270   0.34806   0.35337   0.35374   0.36272
 Alpha virt. eigenvalues --    0.36618   0.37176   0.37857   0.38159   0.38539
 Alpha virt. eigenvalues --    0.39132   0.39262   0.40030   0.40417   0.40647
 Alpha virt. eigenvalues --    0.40954   0.41297   0.41702   0.42068   0.42154
 Alpha virt. eigenvalues --    0.42417   0.42930   0.43332   0.43712   0.44054
 Alpha virt. eigenvalues --    0.44140   0.44429   0.44923   0.45590   0.45675
 Alpha virt. eigenvalues --    0.45872   0.46190   0.47299   0.47787   0.48276
 Alpha virt. eigenvalues --    0.48873   0.49473   0.49753   0.49997   0.50409
 Alpha virt. eigenvalues --    0.51038   0.51536   0.51924   0.52185   0.52874
 Alpha virt. eigenvalues --    0.53184   0.53662   0.54146   0.54703   0.55328
 Alpha virt. eigenvalues --    0.55396   0.55967   0.56463   0.57344   0.57654
 Alpha virt. eigenvalues --    0.57850   0.58863   0.59221   0.59261   0.59498
 Alpha virt. eigenvalues --    0.59585   0.60414   0.61225   0.61669   0.61898
 Alpha virt. eigenvalues --    0.62206   0.62389   0.62534   0.63478   0.63727
 Alpha virt. eigenvalues --    0.63883   0.64266   0.64918   0.65186   0.65809
 Alpha virt. eigenvalues --    0.66071   0.66467   0.67238   0.67581   0.68176
 Alpha virt. eigenvalues --    0.68404   0.68968   0.69100   0.69304   0.70077
 Alpha virt. eigenvalues --    0.70262   0.70445   0.70973   0.71551   0.71932
 Alpha virt. eigenvalues --    0.72419   0.72715   0.73237   0.73929   0.74123
 Alpha virt. eigenvalues --    0.74806   0.74910   0.75435   0.76100   0.76435
 Alpha virt. eigenvalues --    0.76714   0.77152   0.77719   0.78252   0.78621
 Alpha virt. eigenvalues --    0.79407   0.79628   0.80539   0.80917   0.81333
 Alpha virt. eigenvalues --    0.82149   0.82472   0.82720   0.83441   0.84041
 Alpha virt. eigenvalues --    0.84207   0.84620   0.85254   0.85306   0.85932
 Alpha virt. eigenvalues --    0.86923   0.87517   0.87885   0.88293   0.88631
 Alpha virt. eigenvalues --    0.89617   0.89966   0.90419   0.91127   0.92271
 Alpha virt. eigenvalues --    0.92389   0.92779   0.93294   0.94187   0.95073
 Alpha virt. eigenvalues --    0.95401   0.96177   0.96570   0.97804   0.98460
 Alpha virt. eigenvalues --    0.99546   1.00347   1.00701   1.01857   1.02378
 Alpha virt. eigenvalues --    1.04152   1.04310   1.05202   1.05339   1.07019
 Alpha virt. eigenvalues --    1.07625   1.08650   1.08810   1.09462   1.11002
 Alpha virt. eigenvalues --    1.12123   1.13138   1.13630   1.14577   1.14842
 Alpha virt. eigenvalues --    1.16159   1.16713   1.17827   1.19255   1.19582
 Alpha virt. eigenvalues --    1.20332   1.21817   1.22316   1.23410   1.24085
 Alpha virt. eigenvalues --    1.24588   1.25090   1.25982   1.27537   1.27987
 Alpha virt. eigenvalues --    1.29526   1.31317   1.32070   1.33301   1.35631
 Alpha virt. eigenvalues --    1.37185   1.38656   1.39082   1.40399   1.41263
 Alpha virt. eigenvalues --    1.42139   1.42366   1.44073   1.44654   1.44964
 Alpha virt. eigenvalues --    1.45875   1.48344   1.49715   1.50229   1.51532
 Alpha virt. eigenvalues --    1.52174   1.52634   1.53645   1.54234   1.54652
 Alpha virt. eigenvalues --    1.55078   1.55441   1.57303   1.58008   1.58297
 Alpha virt. eigenvalues --    1.59461   1.60787   1.61258   1.62193   1.62517
 Alpha virt. eigenvalues --    1.63198   1.63710   1.65133   1.66141   1.67774
 Alpha virt. eigenvalues --    1.68739   1.68983   1.69199   1.70425   1.71273
 Alpha virt. eigenvalues --    1.72761   1.73144   1.73874   1.74703   1.75506
 Alpha virt. eigenvalues --    1.76326   1.76975   1.77403   1.78178   1.78985
 Alpha virt. eigenvalues --    1.79117   1.80361   1.80675   1.81297   1.81810
 Alpha virt. eigenvalues --    1.83596   1.85385   1.85609   1.87153   1.87228
 Alpha virt. eigenvalues --    1.88078   1.89284   1.89681   1.90498   1.91979
 Alpha virt. eigenvalues --    1.92602   1.93195   1.94262   1.95050   1.95487
 Alpha virt. eigenvalues --    1.95780   1.96629   1.97488   1.97960   1.98511
 Alpha virt. eigenvalues --    2.00082   2.01232   2.01378   2.02269   2.03557
 Alpha virt. eigenvalues --    2.03954   2.04750   2.05393   2.06494   2.07953
 Alpha virt. eigenvalues --    2.08579   2.09130   2.10287   2.11496   2.12486
 Alpha virt. eigenvalues --    2.13934   2.14792   2.15355   2.15674   2.17454
 Alpha virt. eigenvalues --    2.17930   2.18329   2.19716   2.20129   2.20946
 Alpha virt. eigenvalues --    2.21546   2.22788   2.23359   2.25092   2.26189
 Alpha virt. eigenvalues --    2.26808   2.28342   2.29278   2.30069   2.30986
 Alpha virt. eigenvalues --    2.31831   2.33606   2.34602   2.35921   2.35977
 Alpha virt. eigenvalues --    2.36847   2.38320   2.39540   2.40590   2.41891
 Alpha virt. eigenvalues --    2.43368   2.44240   2.45612   2.47454   2.50278
 Alpha virt. eigenvalues --    2.51323   2.52529   2.52879   2.53411   2.55078
 Alpha virt. eigenvalues --    2.57507   2.58043   2.60239   2.61282   2.62451
 Alpha virt. eigenvalues --    2.64589   2.65407   2.65661   2.66402   2.69490
 Alpha virt. eigenvalues --    2.72436   2.74626   2.74821   2.76292   2.77398
 Alpha virt. eigenvalues --    2.79571   2.81511   2.83657   2.85902   2.86520
 Alpha virt. eigenvalues --    2.88661   2.91100   2.92339   2.93741   2.95040
 Alpha virt. eigenvalues --    2.99278   3.07088   3.10925   3.12443   3.14441
 Alpha virt. eigenvalues --    3.17111   3.23556   3.31888   3.35466   3.38573
 Alpha virt. eigenvalues --    3.40202   3.45502   3.45727   3.48075   3.49329
 Alpha virt. eigenvalues --    3.53197   3.56277   3.62406   3.67869   3.73082
 Alpha virt. eigenvalues --    3.75978   3.86838   3.94296   4.04452   4.81102
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   40.705309 -12.144727 -12.115890   3.354941  -5.318460  -5.510560
     2  C  -12.144727  28.443355   3.790112  -7.425894  -2.822821  -4.069390
     3  C  -12.115890   3.790112  40.882133 -10.946758  -5.850111  -4.967563
     4  C    3.354941  -7.425894 -10.946758  30.808548  -4.486104  -2.830259
     5  C   -5.318460  -2.822821  -5.850111  -4.486104  30.551023  -4.965006
     6  C   -5.510560  -4.069390  -4.967563  -2.830259  -4.965006  30.229612
     7  C   -1.254049  -2.089112  -0.475896  -0.598553  -0.754460   0.230507
     8  C   -0.440341   0.329756   0.043952  -0.125068  -0.113995  -0.225293
     9  C    0.694474  -0.318645  -0.128579   0.046252  -0.221632  -0.268790
    10  C   -0.263615  -0.007085  -0.003238  -0.000146   0.142750   0.100218
    11  C    0.192295  -0.242247  -0.551664  -5.335775   0.535091  -0.350997
    12  C    0.113822   0.080286  -0.892897   0.724029  -0.340269  -0.286555
    13  O   -0.067682  -0.004583   0.159522  -0.089377   0.016628   0.011477
    14  O   -0.044260   0.007710   0.090923  -0.025954   0.019975   0.029835
    15  H   -5.306502   3.281124   1.505717  -1.521762   0.154756   0.603397
    16  H    1.890013  -1.231158  -5.238318   2.269778   0.482473   0.067480
    17  H   -0.229399   0.162836   0.017639   0.369273  -2.918020   1.442838
    18  H   -0.198663   0.002507  -0.147207   0.302469   1.803665  -2.519052
    19  H    1.260062  -0.566356   0.279038   0.221894  -0.329695  -0.747988
    20  H   -0.252996  -0.412247  -0.073653   0.040781   0.282713   0.409097
    21  H    0.027098  -0.030569   0.072168   0.067184   0.046502   0.063434
    22  H   -0.052378   0.018205  -0.061773   0.004348   0.050613   0.025871
    23  H    0.214210  -0.035724   0.034560   0.046435  -0.024736  -0.052170
    24  H   -0.094745   0.049882   0.005138  -0.017536   0.022313   0.020161
    25  H   -0.058061   0.069185   0.017994  -0.003461   0.016867   0.046879
    26  H    0.007803   0.219503  -0.009229   0.016099   0.009629  -0.003941
    27  H    0.014571  -0.140786  -0.004440  -0.006450  -0.007386  -0.029685
    28  H   -0.047104   0.009787  -0.008799   0.777000  -0.153896  -0.124281
    29  C    0.006190  -0.151405  -0.441382  -0.647369   0.241408  -0.083678
    30  H    0.005975  -0.000465  -0.028235   0.032692  -0.006766  -0.004563
    31  H   -0.011910   0.051288   0.115351   0.946168  -0.246931  -0.026638
    32  H   -0.021399  -0.036498   0.105253  -0.770052   0.192546   0.028708
    33  H   -0.012733  -0.078631  -0.346189  -0.010119   0.124011   0.027113
               7          8          9         10         11         12
     1  C   -1.254049  -0.440341   0.694474  -0.263615   0.192295   0.113822
     2  C   -2.089112   0.329756  -0.318645  -0.007085  -0.242247   0.080286
     3  C   -0.475896   0.043952  -0.128579  -0.003238  -0.551664  -0.892897
     4  C   -0.598553  -0.125068   0.046252  -0.000146  -5.335775   0.724029
     5  C   -0.754460  -0.113995  -0.221632   0.142750   0.535091  -0.340269
     6  C    0.230507  -0.225293  -0.268790   0.100218  -0.350997  -0.286555
     7  C   12.682997  -0.759835   0.281931   0.095943  -0.385503  -0.007491
     8  C   -0.759835   9.362462  -0.410275  -0.124703  -0.000325   0.006897
     9  C    0.281931  -0.410275   4.935971  -0.317583  -0.003689  -0.004854
    10  C    0.095943  -0.124703  -0.317583   5.118326  -0.003783   0.000711
    11  C   -0.385503  -0.000325  -0.003689  -0.003783  15.408564  -2.606165
    12  C   -0.007491   0.006897  -0.004854   0.000711  -2.606165   8.612603
    13  O   -0.001753   0.000075   0.000003   0.000004   0.157531  -0.172016
    14  O    0.000586   0.000268   0.000742   0.000052   0.122704  -0.357810
    15  H   -0.126360   0.086785  -0.076960   0.015902  -0.030905   0.012000
    16  H    0.139474  -0.009327   0.009103   0.001059  -0.081455   0.183844
    17  H    0.158219  -0.018044   0.003938  -0.001695  -0.037950  -0.042473
    18  H   -0.556072   0.019455  -0.044202   0.043755   0.127514   0.004543
    19  H   -0.955180   0.040810   0.022169  -0.105989   0.000217  -0.002895
    20  H   -0.570980   0.097699   0.033525  -0.066809  -0.011973   0.001223
    21  H   -0.120974  -1.593853   0.177405  -0.111468   0.002237   0.001544
    22  H   -0.073235   0.340945   0.150173  -0.117128  -0.015413   0.001663
    23  H   -0.346201   0.016925   0.188162  -0.080876  -0.000012   0.000022
    24  H    0.095110  -0.096496   0.116164   0.080790   0.003330  -0.000207
    25  H   -0.035557  -0.217767  -0.109881   0.416348   0.000099   0.000101
    26  H   -0.251315   0.215336  -0.051344   0.127953   0.001662   0.000039
    27  H    0.106580   0.252900   0.065328   0.035808  -0.001311   0.000045
    28  H   -0.007730   0.003395  -0.001063  -0.000099  -1.631462   0.175905
    29  C   -0.079990  -0.003805  -0.000566   0.000076   0.560619   0.058579
    30  H    0.000003   0.000065  -0.000146   0.000004   0.026306  -0.058162
    31  H    0.002073  -0.000362   0.000007  -0.000019  -0.551601   0.011466
    32  H   -0.015705   0.000296  -0.000016   0.000047   0.704997  -0.125543
    33  H   -0.011488  -0.000245  -0.000034  -0.000082  -0.289114   0.071866
              13         14         15         16         17         18
     1  C   -0.067682  -0.044260  -5.306502   1.890013  -0.229399  -0.198663
     2  C   -0.004583   0.007710   3.281124  -1.231158   0.162836   0.002507
     3  C    0.159522   0.090923   1.505717  -5.238318   0.017639  -0.147207
     4  C   -0.089377  -0.025954  -1.521762   2.269778   0.369273   0.302469
     5  C    0.016628   0.019975   0.154756   0.482473  -2.918020   1.803665
     6  C    0.011477   0.029835   0.603397   0.067480   1.442838  -2.519052
     7  C   -0.001753   0.000586  -0.126360   0.139474   0.158219  -0.556072
     8  C    0.000075   0.000268   0.086785  -0.009327  -0.018044   0.019455
     9  C    0.000003   0.000742  -0.076960   0.009103   0.003938  -0.044202
    10  C    0.000004   0.000052   0.015902   0.001059  -0.001695   0.043755
    11  C    0.157531   0.122704  -0.030905  -0.081455  -0.037950   0.127514
    12  C   -0.172016  -0.357810   0.012000   0.183844  -0.042473   0.004543
    13  O    8.497708   0.011600  -0.001521  -0.045258   0.004096  -0.000180
    14  O    0.011600   8.381770  -0.000822  -0.017237   0.015798  -0.000189
    15  H   -0.001521  -0.000822   4.122695  -0.440441   0.008400  -0.032105
    16  H   -0.045258  -0.017237  -0.440441   4.312387  -0.036768   0.005263
    17  H    0.004096   0.015798   0.008400  -0.036768   3.691721  -0.417075
    18  H   -0.000180  -0.000189  -0.032105   0.005263  -0.417075   3.693236
    19  H   -0.000002  -0.000004  -0.145376   0.002880  -0.005706   0.018607
    20  H   -0.000019  -0.000004   0.028593  -0.003171   0.015538  -0.070830
    21  H   -0.000014  -0.000209   0.003297   0.000154   0.004471  -0.065152
    22  H   -0.000129  -0.001377  -0.013734   0.002268  -0.002372   0.010355
    23  H    0.000023   0.000023  -0.009523  -0.001372   0.000879  -0.008140
    24  H   -0.000027   0.000211   0.002830   0.000393  -0.000446   0.001051
    25  H    0.000003   0.000008   0.010591  -0.000169  -0.000092   0.002218
    26  H   -0.000001   0.000011  -0.000040   0.000017  -0.000605   0.016626
    27  H    0.000001  -0.000011  -0.002894   0.000058   0.000168  -0.004576
    28  H   -0.000915  -0.045882   0.000947  -0.017804  -0.215013   0.005903
    29  C   -0.005469  -0.002558   0.009921  -0.038379   0.022486   0.009056
    30  H   -0.040215   0.259646   0.000030   0.002787  -0.000917   0.000037
    31  H    0.001045   0.002839  -0.000842   0.007391  -0.000062   0.000548
    32  H    0.019679   0.007677  -0.002893   0.015431  -0.008360   0.002004
    33  H    0.008288  -0.012025   0.003571  -0.092261   0.010533  -0.001028
              19         20         21         22         23         24
     1  C    1.260062  -0.252996   0.027098  -0.052378   0.214210  -0.094745
     2  C   -0.566356  -0.412247  -0.030569   0.018205  -0.035724   0.049882
     3  C    0.279038  -0.073653   0.072168  -0.061773   0.034560   0.005138
     4  C    0.221894   0.040781   0.067184   0.004348   0.046435  -0.017536
     5  C   -0.329695   0.282713   0.046502   0.050613  -0.024736   0.022313
     6  C   -0.747988   0.409097   0.063434   0.025871  -0.052170   0.020161
     7  C   -0.955180  -0.570980  -0.120974  -0.073235  -0.346201   0.095110
     8  C    0.040810   0.097699  -1.593853   0.340945   0.016925  -0.096496
     9  C    0.022169   0.033525   0.177405   0.150173   0.188162   0.116164
    10  C   -0.105989  -0.066809  -0.111468  -0.117128  -0.080876   0.080790
    11  C    0.000217  -0.011973   0.002237  -0.015413  -0.000012   0.003330
    12  C   -0.002895   0.001223   0.001544   0.001663   0.000022  -0.000207
    13  O   -0.000002  -0.000019  -0.000014  -0.000129   0.000023  -0.000027
    14  O   -0.000004  -0.000004  -0.000209  -0.001377   0.000023   0.000211
    15  H   -0.145376   0.028593   0.003297  -0.013734  -0.009523   0.002830
    16  H    0.002880  -0.003171   0.000154   0.002268  -0.001372   0.000393
    17  H   -0.005706   0.015538   0.004471  -0.002372   0.000879  -0.000446
    18  H    0.018607  -0.070830  -0.065152   0.010355  -0.008140   0.001051
    19  H    2.899498  -0.407156   0.103303  -0.017470   0.028470   0.011344
    20  H   -0.407156   2.554682   0.007702   0.033640   0.011318  -0.012349
    21  H    0.103303   0.007702   3.084188  -0.085285   0.138106  -0.059978
    22  H   -0.017470   0.033640  -0.085285   1.958487  -0.302071  -0.581743
    23  H    0.028470   0.011318   0.138106  -0.302071   1.767673  -0.430631
    24  H    0.011344  -0.012349  -0.059978  -0.581743  -0.430631   2.174659
    25  H   -0.057022  -0.018803   0.128262   0.000008   0.008632  -0.018709
    26  H    0.011409  -0.074961  -0.094540  -0.021938  -0.001425   0.031653
    27  H    0.016290   0.032675  -0.110735   0.023561  -0.025746  -0.028517
    28  H    0.000200  -0.001235  -0.000495   0.000227  -0.000264   0.000211
    29  C   -0.003164  -0.002451   0.000928   0.000667   0.000491  -0.000140
    30  H   -0.000014   0.000015   0.000063  -0.000018   0.000021  -0.000048
    31  H    0.000167   0.000254   0.000041   0.000323   0.000028  -0.000004
    32  H   -0.000291  -0.000701   0.000233  -0.000703   0.000080   0.000009
    33  H   -0.000895  -0.000184   0.000098   0.000220   0.000097  -0.000030
              25         26         27         28         29         30
     1  C   -0.058061   0.007803   0.014571  -0.047104   0.006190   0.005975
     2  C    0.069185   0.219503  -0.140786   0.009787  -0.151405  -0.000465
     3  C    0.017994  -0.009229  -0.004440  -0.008799  -0.441382  -0.028235
     4  C   -0.003461   0.016099  -0.006450   0.777000  -0.647369   0.032692
     5  C    0.016867   0.009629  -0.007386  -0.153896   0.241408  -0.006766
     6  C    0.046879  -0.003941  -0.029685  -0.124281  -0.083678  -0.004563
     7  C   -0.035557  -0.251315   0.106580  -0.007730  -0.079990   0.000003
     8  C   -0.217767   0.215336   0.252900   0.003395  -0.003805   0.000065
     9  C   -0.109881  -0.051344   0.065328  -0.001063  -0.000566  -0.000146
    10  C    0.416348   0.127953   0.035808  -0.000099   0.000076   0.000004
    11  C    0.000099   0.001662  -0.001311  -1.631462   0.560619   0.026306
    12  C    0.000101   0.000039   0.000045   0.175905   0.058579  -0.058162
    13  O    0.000003  -0.000001   0.000001  -0.000915  -0.005469  -0.040215
    14  O    0.000008   0.000011  -0.000011  -0.045882  -0.002558   0.259646
    15  H    0.010591  -0.000040  -0.002894   0.000947   0.009921   0.000030
    16  H   -0.000169   0.000017   0.000058  -0.017804  -0.038379   0.002787
    17  H   -0.000092  -0.000605   0.000168  -0.215013   0.022486  -0.000917
    18  H    0.002218   0.016626  -0.004576   0.005903   0.009056   0.000037
    19  H   -0.057022   0.011409   0.016290   0.000200  -0.003164  -0.000014
    20  H   -0.018803  -0.074961   0.032675  -0.001235  -0.002451   0.000015
    21  H    0.128262  -0.094540  -0.110735  -0.000495   0.000928   0.000063
    22  H    0.000008  -0.021938   0.023561   0.000227   0.000667  -0.000018
    23  H    0.008632  -0.001425  -0.025746  -0.000264   0.000491   0.000021
    24  H   -0.018709   0.031653  -0.028517   0.000211  -0.000140  -0.000048
    25  H    1.652564  -0.286247  -0.425169   0.000034   0.000107  -0.000003
    26  H   -0.286247   1.813573  -0.470366   0.000041   0.000154   0.000002
    27  H   -0.425169  -0.470366   1.915155  -0.000054  -0.000091   0.000001
    28  H    0.000034   0.000041  -0.000054   2.723296   0.074919   0.008914
    29  C    0.000107   0.000154  -0.000091   0.074919   4.977567   0.011139
    30  H   -0.000003   0.000002   0.000001   0.008914   0.011139   0.614860
    31  H    0.000003   0.000001  -0.000004   0.014122  -0.254796   0.000380
    32  H    0.000013   0.000051  -0.000017  -0.018327   0.070822  -0.000659
    33  H    0.000006   0.000012  -0.000010   0.084045   0.624760   0.003020
              31         32         33
     1  C   -0.011910  -0.021399  -0.012733
     2  C    0.051288  -0.036498  -0.078631
     3  C    0.115351   0.105253  -0.346189
     4  C    0.946168  -0.770052  -0.010119
     5  C   -0.246931   0.192546   0.124011
     6  C   -0.026638   0.028708   0.027113
     7  C    0.002073  -0.015705  -0.011488
     8  C   -0.000362   0.000296  -0.000245
     9  C    0.000007  -0.000016  -0.000034
    10  C   -0.000019   0.000047  -0.000082
    11  C   -0.551601   0.704997  -0.289114
    12  C    0.011466  -0.125543   0.071866
    13  O    0.001045   0.019679   0.008288
    14  O    0.002839   0.007677  -0.012025
    15  H   -0.000842  -0.002893   0.003571
    16  H    0.007391   0.015431  -0.092261
    17  H   -0.000062  -0.008360   0.010533
    18  H    0.000548   0.002004  -0.001028
    19  H    0.000167  -0.000291  -0.000895
    20  H    0.000254  -0.000701  -0.000184
    21  H    0.000041   0.000233   0.000098
    22  H    0.000323  -0.000703   0.000220
    23  H    0.000028   0.000080   0.000097
    24  H   -0.000004   0.000009  -0.000030
    25  H    0.000003   0.000013   0.000006
    26  H    0.000001   0.000051   0.000012
    27  H   -0.000004  -0.000017  -0.000010
    28  H    0.014122  -0.018327   0.084045
    29  C   -0.254796   0.070822   0.624760
    30  H    0.000380  -0.000659   0.003020
    31  H    1.933365  -0.383128  -0.354131
    32  H   -0.383128   1.781263  -0.346428
    33  H   -0.354131  -0.346428   1.771297
 Mulliken charges:
               1
     1  C    0.958708
     2  C    1.292807
     3  C    1.172321
     4  C    0.812745
     5  C   -0.132674
     6  C   -0.270217
     7  C    1.684014
     8  C   -0.678287
     9  C    1.232911
    10  C    1.024573
    11  C    0.288178
    12  C    0.836151
    13  O   -0.458521
    14  O   -0.444036
    15  H   -1.137871
    16  H   -1.139135
    17  H   -0.993838
    18  H   -1.004339
    19  H   -0.571156
    20  H   -0.568933
    21  H   -0.655148
    22  H   -0.274807
    23  H   -0.137265
    24  H   -0.273641
    25  H   -0.138982
    26  H   -0.205623
    27  H   -0.204895
    28  H   -0.604521
    29  C    1.045356
    30  H    0.174250
    31  H   -0.256431
    32  H   -0.198385
    33  H   -0.173309
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.179164
     2  C    1.292807
     3  C    0.033186
     4  C    0.812745
     5  C   -1.126512
     6  C   -1.274556
     7  C    0.543925
     8  C   -1.333435
     9  C    0.547199
    10  C    0.475074
    11  C   -0.316344
    12  C    0.836151
    13  O   -0.458521
    14  O   -0.269785
    29  C    0.417230
 Electronic spatial extent (au):  <R**2>=           4605.7812
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0840    Y=             -0.4128    Z=              1.3671  Tot=              1.7929
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -91.3504   YY=            -90.0694   ZZ=            -91.7533
   XY=              1.2910   XZ=             -5.6633   YZ=              0.6982
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2927   YY=              0.9883   ZZ=             -0.6956
   XY=              1.2910   XZ=             -5.6633   YZ=              0.6982
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.0066  YYY=             32.8127  ZZZ=             -0.3827  XYY=            -23.0388
  XXY=             -4.4024  XXZ=             28.4355  XZZ=              2.5768  YZZ=             -1.8676
  YYZ=             14.2750  XYZ=            -11.5906
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5097.8850 YYYY=           -711.6678 ZZZZ=           -481.4722 XXXY=             -5.9851
 XXXZ=            -97.3619 YYYX=           -103.2869 YYYZ=             31.9111 ZZZX=             -8.7887
 ZZZY=            -10.3004 XXYY=           -906.1264 XXZZ=           -942.2657 YYZZ=           -211.3758
 XXYZ=             50.8428 YYXZ=            -26.8228 ZZXY=              0.6408
 N-N= 9.730890188818D+02 E-N=-3.472044197315D+03  KE= 6.517135416289D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep 29 15:29:19 2021, MaxMem=  6442450944 cpu:               4.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30043098D-01-1.59800220D-01 5.36355790D-01
 Polarizability= 2.07843605D+02-1.40721032D+00 1.30367258D+02
                 2.09507671D+00-7.18914189D+00 1.40807429D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.9724   -0.9724       -0.8917   -0.8916
 2      0.9724    0.9724        3.6084    3.6083      -42.3716  -42.3732
 3      0.8917    0.8916       37.3227   37.3234       -3.6076   -3.6083
 4     -3.6084   -3.6083        0.0000    0.0000        0.8917    0.8916
 5      5.0489    5.0498       -0.8917   -0.8916       -0.9737   -0.9724
 6      3.6076    3.6083        0.9737    0.9724        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.9171    2.9171       -2.6748   -2.6748
 2    -10.8249  -10.8249       -0.0000    0.0000       -2.6748   -2.6748
 3    -10.8249  -10.8249        2.9171    2.9171       -0.0000    0.0000
 4      2.9171    2.9171       10.8249   10.8249     -127.1195 -127.1195
 5      2.6748    2.6748      111.9701  111.9701      -10.8249  -10.8249
 6     15.1494   15.1494       -2.6748   -2.6748       -2.9171   -2.9171
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1064    0.0000        3.9592    3.8894        3.6504    3.5664
 2     -3.9084   -3.8894      -14.4624  -14.4333      169.2945  169.4927
 3     -3.5011   -3.5664     -149.1748 -149.2934       14.5100   14.4333
 4     14.5153   14.4333        0.0059    0.0000       -3.5411   -3.5664
 5    -20.2390  -20.1992        3.4708    3.5664        3.9084    3.8894
 6    -14.4390  -14.4333       -3.9308   -3.8894       -0.0055    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1111    0.0000      -83.3380  -83.3690        8.6613    8.5302
 2     83.3660   83.3690       -4.6885   -4.7955        0.1831    0.1766
 3     -8.5736   -8.5302       44.0065   43.9276        4.7986    4.7955
 4      4.7325    4.7955       -0.0797    0.0000       -8.6221   -8.5302
 5    -43.9644  -44.1042        8.5307    8.5302      -83.3811  -83.3690
 6     -4.8385   -4.7955       83.4268   83.3690       -0.0414    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -20.1470  -20.0671        3.8524    4.0255      -49.3217  -49.2573
 2     -1.9991   -1.9430      -58.1917  -58.0398      -49.2539  -49.2573
 3     -2.0127   -1.9430        3.8675    4.0255      -66.7457  -66.6723
 4     61.9988   62.0652      -18.1027  -18.1241       21.2744   21.2296
 5    -17.4904  -17.4150       58.6337   58.5310       18.0762   18.1241
 6    -79.6591  -79.7605       17.5505   17.4150      -62.0186  -62.0652
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.2631   -0.0009    0.0007    0.0010    2.2520    3.7066
 Low frequencies ---   24.9151   36.5360   45.6681
 Diagonal vibrational polarizability:
       44.0726976      17.8066734       8.4641303
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.9146                36.5357                45.6673
 Red. masses --      3.6253                 5.9313                 4.0981
 Frc consts  --      0.0013                 0.0047                 0.0050
 IR Inten    --      0.1620                 0.8922                 0.8498
 RamAct Fr= 1--      0.3512                 1.0769                 1.6252
  Dep-P Fr= 1--      0.7500                 0.6866                 0.7370
  Dep-U Fr= 1--      0.8571                 0.8142                 0.8486
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0004
 Beta2  Fr= 1--      0.0502                 0.1461                 0.2299
 AlphaG Fr= 1--      0.0000                 0.0048                -0.0036
 Gamma2 Fr= 1--      0.2556                 0.1865                -0.9401
 Delta2 Fr= 1--      0.1400                 0.5651                -1.0959
 Raman1 Fr= 1--       1.405                  4.308                  6.501
 ROA1   Fr= 1--      29.021                 35.986               -125.323
 CID1   Fr= 1--      20.658                  8.354                -19.278
 Raman2 Fr= 1--       0.602                  1.754                  2.758
 ROA2   Fr= 1--       5.016                 -0.046                -13.796
 CID2   Fr= 1--       8.331                 -0.026                 -5.001
 Raman3 Fr= 1--       1.204                  3.507                  5.517
 ROA3   Fr= 1--      29.021                 35.986               -125.323
 CID3   Fr= 1--      24.101                 10.260                -22.717
 RC180  Fr= 1--       0.714                  0.628                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.01    -0.01  -0.09  -0.04    -0.01  -0.13  -0.06
     2   6    -0.00   0.05  -0.05    -0.01  -0.06  -0.03     0.00  -0.04  -0.03
     3   6    -0.02   0.10   0.03    -0.01  -0.10  -0.04    -0.01  -0.13  -0.05
     4   6     0.01   0.05   0.02    -0.01  -0.07  -0.03     0.01  -0.03  -0.00
     5   6     0.03  -0.00  -0.02    -0.00  -0.06  -0.03     0.03   0.06   0.02
     6   6     0.03  -0.00  -0.05    -0.00  -0.05  -0.02     0.02   0.05   0.00
     7   6    -0.01   0.03  -0.10    -0.00   0.01  -0.00     0.00  -0.00  -0.05
     8   6     0.04  -0.08   0.03    -0.08   0.03   0.05    -0.02  -0.03   0.02
     9   6     0.05   0.00   0.22    -0.17   0.03   0.12    -0.15   0.00   0.21
    10   6     0.04  -0.10  -0.05    -0.06   0.14   0.03    -0.01   0.08  -0.13
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.02   0.03
    12   6    -0.05  -0.02  -0.05     0.08   0.03  -0.01     0.06   0.03  -0.01
    13   8    -0.12  -0.13  -0.06    -0.13  -0.01   0.07     0.25   0.07  -0.07
    14   8    -0.02   0.09  -0.12     0.44   0.10  -0.09    -0.13  -0.00   0.04
    15   1    -0.04   0.14  -0.01    -0.01  -0.10  -0.04    -0.03  -0.20  -0.09
    16   1    -0.04   0.13   0.06    -0.01  -0.12  -0.05    -0.03  -0.19  -0.06
    17   1     0.05  -0.04  -0.02    -0.00  -0.04  -0.02     0.04   0.13   0.05
    18   1     0.04  -0.05  -0.09    -0.00  -0.03  -0.02     0.04   0.12   0.03
    19   1    -0.03   0.16  -0.10     0.02   0.06   0.00    -0.01   0.07  -0.05
    20   1    -0.02  -0.03  -0.23     0.04   0.02  -0.03     0.03  -0.02  -0.11
    21   1     0.08  -0.21   0.03    -0.07  -0.04   0.05     0.07  -0.17   0.04
    22   1     0.06   0.01   0.28    -0.18  -0.05   0.14    -0.15  -0.08   0.33
    23   1     0.01   0.14   0.23    -0.19   0.10   0.12    -0.26   0.13   0.19
    24   1     0.08  -0.08   0.31    -0.22   0.04   0.15    -0.15  -0.02   0.25
    25   1    -0.00   0.04  -0.06    -0.07   0.22   0.04    -0.10   0.24  -0.15
    26   1     0.03  -0.16  -0.19     0.00   0.14  -0.02     0.08   0.05  -0.28
    27   1     0.07  -0.18   0.03    -0.12   0.15   0.08    -0.02   0.05  -0.07
    28   1     0.05   0.10   0.08     0.01   0.02  -0.01     0.03   0.05   0.03
    29   6     0.03  -0.08   0.15    -0.07   0.03   0.01    -0.04   0.03   0.06
    30   1    -0.06   0.06  -0.19     0.47   0.11  -0.09    -0.07   0.01   0.01
    31   1     0.03  -0.10   0.17    -0.07   0.11   0.02    -0.03   0.06   0.09
    32   1     0.07  -0.05   0.24    -0.14   0.01   0.03    -0.06   0.02   0.07
    33   1     0.01  -0.16   0.13    -0.07   0.00   0.01    -0.06   0.01   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.0153                67.5112               108.3575
 Red. masses --      4.0872                 3.0139                 4.7885
 Frc consts  --      0.0070                 0.0081                 0.0331
 IR Inten    --      0.3691                 0.1498                 0.0980
 RamAct Fr= 1--      4.6040                 0.1573                 2.5018
  Dep-P Fr= 1--      0.7485                 0.7487                 0.7346
  Dep-U Fr= 1--      0.8562                 0.8563                 0.8470
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0007
 Beta2  Fr= 1--      0.6570                 0.0224                 0.3532
 AlphaG Fr= 1--      0.0003                 0.0000                -0.0007
 Gamma2 Fr= 1--      0.3223                 0.6259                -0.5459
 Delta2 Fr= 1--      0.1075                 0.2985                -0.1176
 Raman1 Fr= 1--      18.416                  0.629                 10.007
 ROA1   Fr= 1--      34.383                 69.639                -56.167
 CID1   Fr= 1--       1.867                110.681                 -5.613
 Raman2 Fr= 1--       7.884                  0.269                  4.238
 ROA2   Fr= 1--       6.876                 12.633                -12.160
 CID2   Fr= 1--       0.872                 46.894                 -2.869
 Raman3 Fr= 1--      15.768                  0.539                  8.476
 ROA3   Fr= 1--      34.383                 69.639                -56.167
 CID3   Fr= 1--       2.181                129.252                 -6.627
 RC180  Fr= 1--       0.712                  0.713                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.08    -0.04  -0.03  -0.10    -0.09   0.10   0.07
     2   6    -0.01   0.07  -0.01    -0.01   0.01  -0.11    -0.07   0.13   0.07
     3   6    -0.03  -0.14  -0.09    -0.04  -0.05  -0.05    -0.09  -0.03   0.04
     4   6    -0.01   0.01  -0.04     0.00  -0.02  -0.02    -0.09  -0.12   0.02
     5   6     0.01   0.22   0.04     0.04  -0.00  -0.05    -0.07  -0.09   0.02
     6   6     0.01   0.25   0.05     0.03   0.01  -0.09    -0.06   0.04   0.05
     7   6    -0.01   0.03  -0.02    -0.01   0.06  -0.11    -0.07   0.13   0.02
     8   6     0.05  -0.04   0.02    -0.06   0.02   0.01     0.05   0.07  -0.01
     9   6     0.11   0.00   0.09     0.07   0.03  -0.05     0.16   0.11   0.01
    10   6     0.04  -0.11   0.00    -0.05  -0.03   0.26     0.03  -0.09  -0.10
    11   6    -0.02  -0.04  -0.05     0.01   0.00   0.05    -0.09  -0.10   0.00
    12   6    -0.05  -0.03   0.03     0.03   0.00   0.02     0.08  -0.05  -0.03
    13   8    -0.14  -0.00   0.08     0.08  -0.00   0.00     0.21  -0.01  -0.07
    14   8     0.04  -0.07   0.05    -0.02   0.01   0.03     0.14  -0.05  -0.04
    15   1    -0.03  -0.24  -0.12    -0.08  -0.04  -0.11    -0.09   0.16   0.09
    16   1    -0.04  -0.29  -0.15    -0.07  -0.07  -0.04    -0.11  -0.04   0.05
    17   1     0.02   0.35   0.08     0.08   0.02  -0.02    -0.07  -0.14   0.01
    18   1     0.02   0.40   0.11     0.06   0.04  -0.10    -0.05   0.06   0.04
    19   1    -0.02   0.07  -0.03     0.01   0.15  -0.10    -0.12   0.14   0.01
    20   1    -0.04  -0.00  -0.08     0.01   0.03  -0.18    -0.09   0.11  -0.03
    21   1     0.06  -0.07   0.02    -0.23   0.03  -0.03     0.11   0.09   0.01
    22   1     0.11   0.03   0.09     0.05   0.05  -0.26     0.18   0.20   0.04
    23   1     0.12   0.04   0.09     0.28   0.04  -0.00     0.15   0.10   0.01
    24   1     0.14  -0.04   0.12    -0.02   0.02   0.06     0.25   0.06   0.01
    25   1     0.04  -0.08  -0.00     0.13  -0.07   0.31    -0.04  -0.14  -0.12
    26   1     0.00  -0.14  -0.04    -0.15  -0.03   0.34    -0.04  -0.11  -0.10
    27   1     0.09  -0.16   0.03    -0.11  -0.04   0.33     0.14  -0.13  -0.15
    28   1    -0.02  -0.10  -0.06     0.07   0.04   0.07    -0.12  -0.07   0.00
    29   6     0.00  -0.00  -0.11    -0.06  -0.02   0.13    -0.15  -0.04  -0.00
    30   1     0.02  -0.06   0.10     0.00   0.01   0.01     0.30  -0.01  -0.07
    31   1     0.00  -0.04  -0.10    -0.04   0.01   0.20    -0.15   0.05  -0.03
    32   1     0.03  -0.01  -0.17    -0.06  -0.02   0.15    -0.25  -0.07   0.01
    33   1    -0.01   0.06  -0.09    -0.11  -0.06   0.11    -0.11  -0.07  -0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    160.2674               198.0163               223.3358
 Red. masses --      3.8315                 2.8954                 1.0642
 Frc consts  --      0.0580                 0.0669                 0.0313
 IR Inten    --      0.1028                 0.5314                 0.1618
 RamAct Fr= 1--      1.3719                 0.3673                 0.0982
  Dep-P Fr= 1--      0.1978                 0.5096                 0.7468
  Dep-U Fr= 1--      0.3303                 0.6751                 0.8550
 Alpha2 Fr= 1--      0.0187                 0.0017                 0.0000
 Beta2  Fr= 1--      0.0755                 0.0413                 0.0140
 AlphaG Fr= 1--      0.0037                -0.0020                -0.0001
 Gamma2 Fr= 1--      0.0902                 0.4842                 0.1143
 Delta2 Fr= 1--     -0.0261                 0.2829                 0.0520
 Raman1 Fr= 1--       5.488                  1.469                  0.393
 ROA1   Fr= 1--       7.824                 55.541                 12.631
 CID1   Fr= 1--       1.426                 37.808                 32.166
 Raman2 Fr= 1--       0.906                  0.496                  0.168
 ROA2   Fr= 1--       2.373                  9.358                  2.326
 CID2   Fr= 1--       2.618                 18.871                 13.857
 Raman3 Fr= 1--       1.813                  0.992                  0.336
 ROA3   Fr= 1--       7.824                 55.541                 12.631
 CID3   Fr= 1--       4.316                 56.001                 37.619
 RC180  Fr= 1--      -0.339                  0.350                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.07   0.02     0.04   0.11  -0.03     0.01   0.02  -0.00
     2   6    -0.06   0.01  -0.03    -0.01   0.05  -0.01     0.00   0.01  -0.01
     3   6    -0.06   0.10   0.10     0.03   0.11  -0.08     0.00   0.01  -0.00
     4   6     0.01   0.07   0.12    -0.00   0.06  -0.11     0.00  -0.00  -0.01
     5   6     0.03   0.10   0.10    -0.04   0.09  -0.07     0.00   0.01  -0.01
     6   6     0.02   0.07   0.02    -0.04   0.09  -0.02     0.00   0.02  -0.00
     7   6    -0.08  -0.03  -0.11    -0.00  -0.07   0.09     0.01  -0.01   0.00
     8   6    -0.11  -0.06  -0.04    -0.01  -0.04   0.04     0.00  -0.01  -0.00
     9   6    -0.11  -0.05  -0.03    -0.08  -0.09  -0.02    -0.01  -0.02  -0.01
    10   6    -0.11  -0.05   0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
    11   6     0.00  -0.04   0.03     0.01  -0.03  -0.03     0.00  -0.00  -0.01
    12   6     0.05  -0.04  -0.00     0.02  -0.03  -0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03     0.06   0.03   0.01    -0.01   0.01   0.01
    14   8     0.10  -0.02  -0.02     0.07  -0.09   0.03    -0.00  -0.02   0.01
    15   1    -0.11   0.06   0.00     0.08   0.13  -0.00     0.00   0.03  -0.00
    16   1    -0.10   0.11   0.14     0.05   0.13  -0.09     0.00   0.01  -0.00
    17   1     0.07   0.12   0.12    -0.08   0.10  -0.09     0.01   0.02  -0.00
    18   1     0.07   0.08  -0.01    -0.07   0.09   0.00     0.01   0.03  -0.00
    19   1    -0.11   0.04  -0.11     0.08  -0.17   0.10     0.01  -0.02   0.00
    20   1    -0.07  -0.05  -0.17    -0.10  -0.06   0.20    -0.01  -0.01   0.01
    21   1    -0.17  -0.09  -0.06     0.01  -0.00   0.04    -0.00  -0.01  -0.00
    22   1    -0.12  -0.08  -0.08    -0.06  -0.05   0.17     0.00   0.01   0.08
    23   1    -0.06  -0.01  -0.01    -0.29  -0.20  -0.08    -0.11  -0.07  -0.04
    24   1    -0.16  -0.05   0.03     0.04  -0.04  -0.21     0.05  -0.01  -0.09
    25   1    -0.04  -0.01   0.06    -0.02   0.01   0.01     0.04   0.13   0.03
    26   1    -0.14  -0.06   0.03     0.01  -0.01  -0.00     0.00  -0.04  -0.09
    27   1    -0.14  -0.07   0.11    -0.02  -0.00   0.02    -0.01  -0.05   0.12
    28   1    -0.09  -0.09  -0.00     0.12   0.01  -0.00    -0.00   0.01  -0.01
    29   6     0.21  -0.05  -0.13    -0.05  -0.13   0.13    -0.01  -0.01   0.01
    30   1     0.19  -0.00  -0.04     0.14  -0.06   0.08    -0.01  -0.02   0.03
    31   1     0.18  -0.18  -0.28    -0.01  -0.29   0.39    -0.07   0.38  -0.35
    32   1     0.29  -0.03  -0.14     0.14  -0.07   0.05    -0.39  -0.08   0.42
    33   1     0.34   0.02  -0.09    -0.33  -0.11   0.09     0.41  -0.36  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.2851               250.0408               255.1630
 Red. masses --      1.0897                 1.5616                 1.7810
 Frc consts  --      0.0338                 0.0575                 0.0683
 IR Inten    --      0.2137                 0.1212                 0.9318
 RamAct Fr= 1--      0.0693                 1.4254                 0.4875
  Dep-P Fr= 1--      0.6867                 0.4448                 0.7141
  Dep-U Fr= 1--      0.8143                 0.6157                 0.8332
 Alpha2 Fr= 1--      0.0001                 0.0089                 0.0003
 Beta2  Fr= 1--      0.0094                 0.1463                 0.0677
 AlphaG Fr= 1--      0.0001                -0.0296                -0.0016
 Gamma2 Fr= 1--     -0.0699                -0.9031                 0.5239
 Delta2 Fr= 1--      0.0109                 0.0728                 0.1618
 Raman1 Fr= 1--       0.277                  5.702                  1.950
 ROA1   Fr= 1--      -6.358                -84.368                 55.476
 CID1   Fr= 1--     -22.938                -14.797                 28.446
 Raman2 Fr= 1--       0.113                  1.755                  0.812
 ROA2   Fr= 1--      -1.764                -22.256                 11.280
 CID2   Fr= 1--     -15.634                -12.679                 13.884
 Raman3 Fr= 1--       0.226                  3.511                  1.625
 ROA3   Fr= 1--      -6.358                -84.368                 55.476
 CID3   Fr= 1--     -28.170                -24.032                 34.140
 RC180  Fr= 1--       0.629                  0.231                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01    -0.01  -0.05  -0.03    -0.00  -0.05   0.00
     2   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.02  -0.04   0.03
     3   6    -0.01  -0.01   0.02    -0.01  -0.04  -0.03    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.02     0.01   0.01  -0.00    -0.01   0.03  -0.02
     5   6     0.01  -0.01   0.01    -0.01  -0.03  -0.02    -0.05  -0.01  -0.01
     6   6     0.01  -0.00   0.00    -0.01  -0.05  -0.02    -0.05  -0.05   0.01
     7   6     0.00   0.00  -0.01    -0.02   0.05   0.03    -0.02   0.00   0.03
     8   6     0.01  -0.00  -0.01    -0.03   0.05   0.03    -0.01   0.03  -0.01
     9   6     0.02  -0.01  -0.03     0.01   0.07   0.02     0.06   0.05  -0.00
    10   6     0.01   0.02   0.03    -0.05  -0.06  -0.00    -0.02   0.01  -0.04
    11   6    -0.01  -0.00   0.01     0.02   0.03   0.00    -0.01   0.03  -0.03
    12   6    -0.00  -0.00   0.00     0.00   0.03   0.00    -0.02   0.03  -0.03
    13   8    -0.00  -0.02  -0.00    -0.00   0.04   0.01    -0.01   0.11   0.00
    14   8    -0.01   0.02  -0.01    -0.00   0.02   0.01     0.02  -0.03   0.02
    15   1    -0.02  -0.00   0.00    -0.01  -0.08  -0.04     0.02  -0.08   0.00
    16   1    -0.01  -0.02   0.02    -0.02  -0.06  -0.03     0.02  -0.01  -0.04
    17   1     0.02  -0.02   0.01    -0.01  -0.03  -0.02    -0.08   0.00  -0.02
    18   1     0.01  -0.00  -0.00    -0.01  -0.06  -0.03    -0.07  -0.07   0.02
    19   1    -0.00  -0.01  -0.01     0.00   0.06   0.03    -0.03  -0.04   0.03
    20   1    -0.00   0.00  -0.01    -0.00   0.06   0.03     0.00   0.03   0.07
    21   1    -0.01   0.00  -0.01    -0.02   0.08   0.03    -0.00   0.04  -0.01
    22   1     0.06   0.11   0.20     0.09   0.28   0.42     0.01  -0.02  -0.31
    23   1    -0.23  -0.13  -0.10    -0.40  -0.11  -0.09     0.38   0.17   0.08
    24   1     0.22  -0.01  -0.23     0.38   0.03  -0.29    -0.14   0.03   0.23
    25   1     0.11   0.49   0.07    -0.10  -0.27  -0.02    -0.00   0.34  -0.03
    26   1    -0.04  -0.17  -0.37    -0.11  -0.02   0.14    -0.05  -0.14  -0.35
    27   1    -0.03  -0.23   0.44     0.04  -0.02  -0.16     0.00  -0.18   0.23
    28   1    -0.02  -0.02   0.01     0.02   0.04   0.01    -0.00   0.07  -0.02
    29   6    -0.01   0.03  -0.02     0.11  -0.04   0.01     0.10  -0.11   0.05
    30   1    -0.01   0.01  -0.03    -0.01   0.02   0.02     0.05  -0.00   0.07
    31   1    -0.00  -0.06   0.07     0.10  -0.11  -0.05     0.09  -0.21   0.01
    32   1     0.07   0.03  -0.15     0.17  -0.01   0.09     0.20  -0.05   0.17
    33   1    -0.12   0.15  -0.01     0.16  -0.09   0.01     0.11  -0.22   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.2527               321.6383               348.6184
 Red. masses --      2.7376                 3.4700                 3.3408
 Frc consts  --      0.1435                 0.2115                 0.2392
 IR Inten    --      0.9187                 0.3598                 0.9915
 RamAct Fr= 1--      1.3585                 0.2917                 2.1344
  Dep-P Fr= 1--      0.0639                 0.6138                 0.6874
  Dep-U Fr= 1--      0.1201                 0.7607                 0.8147
 Alpha2 Fr= 1--      0.0260                 0.0007                 0.0023
 Beta2  Fr= 1--      0.0272                 0.0370                 0.2898
 AlphaG Fr= 1--      0.0218                 0.0010                -0.0003
 Gamma2 Fr= 1--     -0.1246                 0.7076                 0.4704
 Delta2 Fr= 1--     -0.2443                 0.3658                -0.4267
 Raman1 Fr= 1--       5.434                  1.167                  8.538
 ROA1   Fr= 1--     -19.781                 79.632                 31.507
 CID1   Fr= 1--      -3.640                 68.238                  3.690
 Raman2 Fr= 1--       0.326                  0.444                  3.478
 ROA2   Fr= 1--      -1.037                 14.055                 14.704
 CID2   Fr= 1--      -3.179                 31.664                  4.228
 Raman3 Fr= 1--       0.653                  0.888                  6.956
 ROA3   Fr= 1--     -19.781                 79.632                 31.507
 CID3   Fr= 1--     -30.314                 89.702                  4.530
 RC180  Fr= 1--      -0.760                  0.521                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.03    -0.09  -0.00  -0.10    -0.02   0.09   0.00
     2   6     0.01  -0.01  -0.00    -0.06   0.05  -0.08     0.01   0.19   0.02
     3   6    -0.05  -0.02   0.06    -0.11  -0.01  -0.06    -0.03  -0.14  -0.02
     4   6    -0.06  -0.01   0.06    -0.07   0.03  -0.02     0.01  -0.14  -0.00
     5   6    -0.02  -0.01   0.03    -0.06  -0.00  -0.07     0.03  -0.15  -0.02
     6   6    -0.01  -0.01   0.00    -0.08   0.00  -0.11     0.05   0.08  -0.00
     7   6     0.04  -0.01  -0.11    -0.00  -0.05   0.13     0.00   0.09   0.03
     8   6     0.09  -0.07  -0.04     0.07  -0.03   0.07     0.06  -0.00   0.06
     9   6     0.04  -0.07   0.01     0.08  -0.06   0.01    -0.14  -0.12  -0.05
    10   6     0.14   0.14   0.07     0.10   0.12  -0.01     0.04  -0.08   0.01
    11   6    -0.09   0.00  -0.03    -0.04  -0.01   0.10     0.02   0.02  -0.00
    12   6    -0.05   0.04  -0.06    -0.01  -0.02   0.11     0.02   0.06  -0.01
    13   8    -0.03   0.15  -0.02     0.08  -0.12   0.04    -0.04   0.09   0.02
    14   8     0.01  -0.04  -0.01     0.00   0.12   0.02    -0.04   0.07  -0.01
    15   1    -0.10  -0.01   0.01    -0.13  -0.03  -0.12    -0.05   0.13   0.00
    16   1    -0.05  -0.02   0.06    -0.13  -0.04  -0.05    -0.07  -0.21  -0.02
    17   1     0.02  -0.02   0.05    -0.04  -0.04  -0.07     0.06  -0.23  -0.04
    18   1    -0.01  -0.01   0.00    -0.07  -0.03  -0.13     0.09   0.11  -0.02
    19   1    -0.06   0.12  -0.13     0.16  -0.23   0.16     0.01   0.14   0.04
    20   1     0.05  -0.07  -0.26    -0.16  -0.04   0.32    -0.10   0.02  -0.04
    21   1     0.06  -0.12  -0.04     0.12   0.01   0.09     0.08   0.02   0.07
    22   1     0.07  -0.03   0.19     0.07  -0.07  -0.08    -0.20  -0.39  -0.17
    23   1    -0.15  -0.11  -0.04     0.16  -0.10   0.03    -0.08  -0.17  -0.04
    24   1     0.17  -0.07  -0.12     0.03  -0.04   0.02    -0.41   0.07  -0.08
    25   1     0.22   0.00   0.09     0.03   0.15  -0.02     0.02  -0.06   0.00
    26   1     0.31   0.29   0.29     0.27   0.17  -0.00    -0.04  -0.14  -0.06
    27   1    -0.07   0.36  -0.05     0.00   0.21  -0.05     0.14  -0.17   0.05
    28   1    -0.15   0.06  -0.03    -0.01  -0.10   0.08    -0.01   0.05  -0.00
    29   6    -0.00  -0.10   0.01     0.10   0.01  -0.04     0.08  -0.03   0.00
    30   1     0.10   0.00   0.05     0.07   0.10  -0.12    -0.13   0.04  -0.02
    31   1    -0.00  -0.22   0.02     0.07  -0.06  -0.23     0.07  -0.14  -0.01
    32   1     0.12  -0.05   0.05     0.14   0.02  -0.03     0.18   0.01   0.02
    33   1    -0.04  -0.14  -0.01     0.28   0.06   0.00     0.08  -0.04   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    386.8639               410.7315               419.5371
 Red. masses --      2.8826                 2.6166                 2.9500
 Frc consts  --      0.2542                 0.2601                 0.3059
 IR Inten    --      0.6359                 0.1174                 0.0142
 RamAct Fr= 1--      1.0147                 4.1262                 0.2120
  Dep-P Fr= 1--      0.1952                 0.1150                 0.1503
  Dep-U Fr= 1--      0.3267                 0.2062                 0.2613
 Alpha2 Fr= 1--      0.0140                 0.0696                 0.0033
 Beta2  Fr= 1--      0.0552                 0.1418                 0.0092
 AlphaG Fr= 1--      0.0033                -0.0322                -0.0372
 Gamma2 Fr= 1--      0.3603                -0.2612                -0.7169
 Delta2 Fr= 1--      0.1640                 0.1045                -0.0451
 Raman1 Fr= 1--       4.059                 16.505                  0.848
 ROA1   Fr= 1--      39.839                -21.731                -70.269
 CID1   Fr= 1--       9.815                 -1.317                -82.879
 Raman2 Fr= 1--       0.663                  1.702                  0.111
 ROA2   Fr= 1--       7.336                 -7.104                -16.846
 CID2   Fr= 1--      11.066                 -4.175               -152.095
 Raman3 Fr= 1--       1.326                  3.404                  0.222
 ROA3   Fr= 1--      39.839                -21.731                -70.269
 CID3   Fr= 1--      30.046                 -6.385               -317.215
 RC180  Fr= 1--      -0.347                 -0.588                 -0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.07     0.01   0.10   0.02     0.02   0.18   0.08
     2   6    -0.02   0.00   0.14    -0.04   0.05   0.02     0.00  -0.01   0.02
     3   6     0.05   0.02  -0.10     0.01  -0.08  -0.03    -0.02  -0.18  -0.08
     4   6    -0.01   0.01  -0.13     0.05  -0.09  -0.02    -0.01   0.01  -0.01
     5   6    -0.12  -0.03  -0.08     0.03  -0.02   0.03    -0.00   0.20   0.06
     6   6    -0.09   0.01   0.12     0.02   0.02   0.03    -0.03  -0.20  -0.06
     7   6    -0.05   0.06  -0.12    -0.08  -0.04  -0.01     0.01   0.01  -0.01
     8   6     0.01  -0.04  -0.05    -0.12  -0.10   0.06     0.03   0.02  -0.03
     9   6    -0.01  -0.03  -0.02     0.13  -0.07   0.01    -0.03   0.01  -0.00
    10   6     0.03   0.02   0.02    -0.13   0.11  -0.04     0.03  -0.02   0.01
    11   6     0.03   0.01   0.01     0.09   0.02  -0.02    -0.01  -0.00   0.01
    12   6     0.02  -0.01   0.08     0.06   0.02  -0.04    -0.01  -0.00   0.01
    13   8     0.04  -0.09   0.04    -0.03   0.02   0.00     0.01  -0.01   0.00
    14   8    -0.01   0.09   0.03    -0.01  -0.01  -0.01     0.00   0.01   0.01
    15   1     0.18  -0.07   0.12     0.04   0.17   0.05     0.05   0.39   0.16
    16   1     0.13   0.04  -0.16    -0.03  -0.13  -0.03    -0.02  -0.40  -0.17
    17   1    -0.25  -0.04  -0.15     0.01   0.02   0.03     0.01   0.42   0.13
    18   1    -0.18   0.03   0.21     0.06   0.02  -0.00    -0.08  -0.43  -0.13
    19   1    -0.32   0.34  -0.17    -0.08   0.03  -0.01    -0.02   0.00  -0.02
    20   1     0.09  -0.02  -0.46    -0.12  -0.09  -0.07     0.02   0.01  -0.02
    21   1    -0.01  -0.08  -0.06    -0.14  -0.11   0.06     0.02   0.01  -0.03
    22   1    -0.01  -0.04   0.03     0.17   0.23  -0.09    -0.04  -0.06   0.03
    23   1    -0.06  -0.02  -0.03     0.25  -0.21   0.02    -0.06   0.06  -0.01
    24   1     0.00  -0.03  -0.04     0.32  -0.18  -0.02    -0.08   0.03   0.01
    25   1     0.11   0.02   0.05    -0.28   0.18  -0.09     0.09  -0.04   0.03
    26   1     0.05   0.05   0.07     0.15   0.19  -0.07    -0.03  -0.03   0.03
    27   1    -0.06   0.06   0.05    -0.24   0.26  -0.14     0.04  -0.05   0.04
    28   1     0.13  -0.06   0.01     0.07   0.06  -0.02     0.00  -0.02   0.00
    29   6     0.05  -0.00   0.00     0.03   0.03   0.02     0.00  -0.00  -0.00
    30   1    -0.03   0.05  -0.07    -0.18  -0.05   0.05     0.03   0.01  -0.01
    31   1     0.04  -0.02  -0.05     0.04   0.06   0.08     0.00  -0.01  -0.02
    32   1     0.07   0.01   0.05     0.02   0.03   0.01     0.01  -0.00  -0.00
    33   1     0.11  -0.03   0.01    -0.02   0.02   0.01     0.01  -0.00  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.9031               452.1944               551.3813
 Red. masses --      2.2179                 3.7049                 2.4558
 Frc consts  --      0.2359                 0.4464                 0.4399
 IR Inten    --      0.9734                 6.7223                11.9599
 RamAct Fr= 1--      0.8705                 1.8890                 1.3472
  Dep-P Fr= 1--      0.5755                 0.1447                 0.3635
  Dep-U Fr= 1--      0.7306                 0.2529                 0.5332
 Alpha2 Fr= 1--      0.0029                 0.0296                 0.0113
 Beta2  Fr= 1--      0.1060                 0.0796                 0.1197
 AlphaG Fr= 1--      0.0033                 0.0086                 0.0186
 Gamma2 Fr= 1--     -0.6010                 0.0785                -0.0306
 Delta2 Fr= 1--     -0.2055                -0.0065                 0.0313
 Raman1 Fr= 1--       3.482                  7.556                  5.389
 ROA1   Fr= 1--     -64.268                  7.327                 -1.935
 CID1   Fr= 1--     -18.457                  0.970                 -0.359
 Raman2 Fr= 1--       1.272                  0.955                  1.437
 ROA2   Fr= 1--     -12.779                  1.936                 -0.985
 CID2   Fr= 1--     -10.047                  2.026                 -0.685
 Raman3 Fr= 1--       2.544                  1.911                  2.874
 ROA3   Fr= 1--     -64.268                  7.327                 -1.935
 CID3   Fr= 1--     -25.264                  3.835                 -0.674
 RC180  Fr= 1--       0.461                 -0.494                  0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.02     0.07   0.02   0.03     0.07   0.00   0.04
     2   6    -0.00  -0.03  -0.01     0.09  -0.09  -0.04     0.09   0.13   0.05
     3   6    -0.01   0.03   0.01     0.06   0.02   0.03     0.04  -0.08  -0.01
     4   6     0.00   0.10   0.03    -0.03  -0.06  -0.02    -0.03   0.11   0.03
     5   6    -0.00   0.05   0.01     0.05   0.05  -0.02     0.02  -0.05  -0.07
     6   6    -0.01  -0.07  -0.03     0.07   0.02  -0.02     0.04   0.03  -0.01
     7   6     0.01   0.14   0.01     0.08   0.01  -0.02     0.05  -0.03  -0.02
     8   6     0.02   0.02   0.19    -0.06   0.01   0.10    -0.05  -0.03  -0.03
     9   6     0.01  -0.10  -0.04     0.03  -0.02  -0.01     0.01  -0.01   0.00
    10   6     0.00   0.00  -0.03    -0.10  -0.00  -0.04    -0.08   0.00  -0.01
    11   6    -0.00   0.02   0.01    -0.12  -0.11  -0.02    -0.10   0.03   0.08
    12   6    -0.01  -0.02  -0.02    -0.07   0.01   0.10    -0.14  -0.01   0.01
    13   8     0.00  -0.03  -0.03     0.04   0.06   0.08     0.01  -0.01  -0.06
    14   8     0.02  -0.08   0.00    -0.04   0.20  -0.01    -0.00  -0.06   0.02
    15   1    -0.02  -0.10  -0.03     0.06   0.12   0.05     0.04  -0.16  -0.03
    16   1    -0.01   0.03   0.00     0.11   0.10   0.02     0.09  -0.27  -0.14
    17   1    -0.00   0.06   0.01     0.11   0.13   0.03     0.04  -0.27  -0.13
    18   1    -0.02  -0.12  -0.04     0.04   0.10   0.03    -0.02  -0.16  -0.04
    19   1    -0.02   0.51   0.01     0.12   0.19  -0.00     0.04  -0.08  -0.03
    20   1     0.09   0.03  -0.33     0.17  -0.00  -0.13     0.00  -0.03   0.03
    21   1     0.06   0.04   0.20    -0.08  -0.00   0.09    -0.09  -0.06  -0.04
    22   1    -0.02  -0.14  -0.20     0.04   0.10  -0.10     0.02   0.07   0.00
    23   1     0.09  -0.38  -0.05     0.11  -0.18  -0.01     0.03   0.01   0.01
    24   1    -0.08   0.08  -0.23     0.08  -0.01  -0.09     0.07  -0.08   0.04
    25   1    -0.23   0.06  -0.10    -0.29   0.02  -0.09    -0.10   0.00  -0.01
    26   1     0.08  -0.03  -0.16    -0.05  -0.03  -0.13    -0.06   0.01  -0.01
    27   1     0.12  -0.03  -0.11     0.01  -0.03  -0.11    -0.09   0.02  -0.02
    28   1    -0.01   0.04   0.01    -0.09  -0.23  -0.04    -0.06   0.04   0.09
    29   6    -0.01   0.04   0.01    -0.09  -0.18  -0.09     0.01   0.04   0.02
    30   1     0.08  -0.04   0.08     0.12   0.17  -0.31     0.69   0.14  -0.03
    31   1    -0.01   0.08   0.03    -0.10  -0.24  -0.13    -0.01  -0.01  -0.10
    32   1    -0.05   0.03  -0.00    -0.04  -0.15  -0.03     0.03   0.05  -0.02
    33   1    -0.02   0.06   0.01    -0.05  -0.22  -0.09     0.11   0.12   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.1443               619.3203               642.9349
 Red. masses --      2.7667                 1.7552                 2.9798
 Frc consts  --      0.5225                 0.3967                 0.7257
 IR Inten    --     35.8469                63.2709                28.3496
 RamAct Fr= 1--      0.2020                 1.3304                 2.9120
  Dep-P Fr= 1--      0.1884                 0.6728                 0.6361
  Dep-U Fr= 1--      0.3170                 0.8044                 0.7775
 Alpha2 Fr= 1--      0.0028                 0.0018                 0.0060
 Beta2  Fr= 1--      0.0107                 0.1784                 0.3774
 AlphaG Fr= 1--     -0.0154                 0.0093                -0.0091
 Gamma2 Fr= 1--      0.0379                -1.2450                -0.2440
 Delta2 Fr= 1--     -0.0972                 0.0845                -0.1611
 Raman1 Fr= 1--       0.808                  5.322                 11.648
 ROA1   Fr= 1--       0.531               -116.816                -28.581
 CID1   Fr= 1--       0.657                -21.951                 -2.454
 Raman2 Fr= 1--       0.128                  2.140                  4.528
 ROA2   Fr= 1--       1.688                -30.556                 -4.568
 CID2   Fr= 1--      13.178                -14.276                 -1.009
 Raman3 Fr= 1--       0.256                  4.281                  9.057
 ROA3   Fr= 1--       0.531               -116.816                -28.581
 CID3   Fr= 1--       2.072                -27.289                 -3.156
 RC180  Fr= 1--      -0.366                  0.609                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.06    -0.02   0.00  -0.03     0.07   0.03  -0.10
     2   6    -0.05   0.16   0.05    -0.07  -0.05  -0.00    -0.03  -0.01  -0.06
     3   6     0.03   0.02  -0.00    -0.01   0.03  -0.05     0.10  -0.04   0.07
     4   6     0.10   0.17   0.07     0.06  -0.05  -0.03     0.03  -0.05   0.04
     5   6     0.04  -0.00   0.06     0.04   0.00   0.02    -0.07  -0.04   0.12
     6   6     0.02  -0.08   0.01     0.02  -0.03   0.04    -0.09   0.03  -0.04
     7   6    -0.10   0.03   0.02    -0.07   0.02   0.02    -0.03   0.01  -0.00
     8   6     0.00  -0.03  -0.04     0.01   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.01   0.01   0.00     0.04   0.00   0.00     0.02  -0.00   0.00
    11   6     0.06  -0.06  -0.10     0.07  -0.05   0.03     0.01   0.10  -0.14
    12   6     0.02  -0.03   0.03    -0.05  -0.05   0.00     0.02   0.09   0.01
    13   8     0.02   0.02   0.06    -0.02   0.07   0.04    -0.02  -0.13  -0.06
    14   8    -0.01   0.06  -0.02    -0.07  -0.02  -0.05    -0.03   0.03   0.15
    15   1     0.01  -0.38  -0.16     0.05   0.08   0.03     0.03   0.12  -0.09
    16   1    -0.05  -0.25  -0.06    -0.04   0.13   0.02     0.03   0.00   0.15
    17   1    -0.01  -0.27  -0.05    -0.01   0.12   0.04    -0.02   0.03   0.17
    18   1     0.06  -0.39  -0.16     0.08   0.08   0.05     0.00   0.12  -0.07
    19   1    -0.12  -0.05   0.01    -0.09   0.02   0.02    -0.02   0.04  -0.00
    20   1    -0.20   0.01   0.06    -0.07   0.01   0.00    -0.02   0.00  -0.04
    21   1     0.01  -0.02  -0.03     0.05   0.03   0.01     0.02   0.01   0.00
    22   1     0.00  -0.03   0.02    -0.01  -0.03   0.01    -0.00  -0.01   0.00
    23   1    -0.01   0.02   0.01    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    24   1    -0.00  -0.04   0.03    -0.03   0.02  -0.01    -0.01   0.01  -0.01
    25   1     0.07   0.02   0.02     0.07   0.01   0.01     0.03   0.00   0.00
    26   1     0.04   0.03   0.04     0.05   0.01   0.02     0.02   0.00   0.01
    27   1    -0.07   0.05   0.03     0.01   0.01   0.02     0.00   0.00   0.01
    28   1     0.04  -0.15  -0.12     0.12  -0.04   0.04    -0.05   0.05  -0.16
    29   6    -0.08  -0.09  -0.06     0.03   0.03   0.02    -0.02  -0.02  -0.03
    30   1    -0.12  -0.00  -0.16     0.78   0.15  -0.40     0.68   0.25   0.15
    31   1    -0.05   0.04   0.12     0.03   0.13   0.03     0.00  -0.09   0.11
    32   1    -0.19  -0.12  -0.00    -0.08  -0.03  -0.07     0.08   0.04   0.16
    33   1    -0.24  -0.21  -0.11     0.03   0.11   0.04    -0.16  -0.26  -0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6842               720.5412               754.1943
 Red. masses --      5.0950                 3.1232                 3.9114
 Frc consts  --      1.3302                 0.9554                 1.3108
 IR Inten    --      8.0118                35.8887                 6.3018
 RamAct Fr= 1--      5.1985                 2.6932                 4.9341
  Dep-P Fr= 1--      0.4544                 0.0456                 0.0600
  Dep-U Fr= 1--      0.6248                 0.0873                 0.1132
 Alpha2 Fr= 1--      0.0313                 0.0538                 0.0952
 Beta2  Fr= 1--      0.5414                 0.0392                 0.0931
 AlphaG Fr= 1--     -0.0669                 0.0454                 0.0418
 Gamma2 Fr= 1--      0.0039                 0.7711                -0.3299
 Delta2 Fr= 1--     -0.0437                 0.1945                 0.0080
 Raman1 Fr= 1--      20.794                 10.773                 19.736
 ROA1   Fr= 1--      -1.026                 80.248                -31.419
 CID1   Fr= 1--      -0.049                  7.449                 -1.592
 Raman2 Fr= 1--       6.497                  0.470                  1.117
 ROA2   Fr= 1--       0.443                 16.949                 -7.982
 CID2   Fr= 1--       0.068                 36.064                 -7.146
 Raman3 Fr= 1--      12.993                  0.940                  2.234
 ROA3   Fr= 1--      -1.026                 80.248                -31.419
 CID3   Fr= 1--      -0.079                 85.375                -14.065
 RC180  Fr= 1--       0.250                 -0.825                 -0.774
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.15    -0.09   0.03   0.11    -0.00  -0.16   0.02
     2   6    -0.01  -0.04   0.07     0.07  -0.02  -0.01     0.08   0.22   0.08
     3   6    -0.21   0.06  -0.10    -0.10  -0.03   0.05     0.02   0.11   0.09
     4   6     0.01   0.01  -0.07    -0.04   0.08   0.03    -0.08  -0.22  -0.07
     5   6     0.20   0.03  -0.14    -0.08  -0.00  -0.04    -0.00   0.15  -0.02
     6   6     0.24  -0.07   0.12    -0.07   0.07  -0.02    -0.03  -0.11  -0.10
     7   6    -0.02  -0.01   0.03     0.17  -0.07  -0.06     0.03   0.08   0.01
     8   6     0.00   0.01   0.01     0.00   0.02   0.04    -0.00  -0.02  -0.06
     9   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.02  -0.07   0.01
    10   6     0.01   0.00   0.00    -0.03   0.00   0.01    -0.07   0.01  -0.01
    11   6    -0.00   0.08  -0.11     0.11   0.01  -0.10    -0.02  -0.01   0.02
    12   6     0.02   0.12  -0.01     0.18  -0.03  -0.01     0.16   0.03  -0.04
    13   8    -0.02  -0.11  -0.09    -0.02  -0.00   0.10    -0.04  -0.01   0.02
    14   8    -0.00   0.04   0.14    -0.08  -0.02  -0.04    -0.05  -0.01   0.01
    15   1    -0.11  -0.03   0.19    -0.22  -0.08   0.01    -0.07  -0.33  -0.06
    16   1    -0.17   0.09  -0.12    -0.12  -0.25  -0.04     0.12   0.34   0.12
    17   1     0.13   0.09  -0.15    -0.10  -0.23  -0.12     0.07   0.35   0.07
    18   1     0.21  -0.03   0.16    -0.19  -0.08   0.00    -0.12  -0.32  -0.12
    19   1     0.02  -0.10   0.04     0.21  -0.03  -0.05     0.03  -0.07   0.00
    20   1    -0.06   0.02   0.12     0.21  -0.04  -0.04    -0.08   0.08   0.14
    21   1     0.02   0.02   0.02    -0.08  -0.03   0.01    -0.02  -0.05  -0.06
    22   1     0.00  -0.01   0.00    -0.00   0.05  -0.03     0.02  -0.07   0.05
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.01   0.01
    24   1    -0.00   0.01  -0.01     0.01   0.03  -0.03     0.03  -0.11   0.07
    25   1     0.00   0.00  -0.00    -0.15  -0.03  -0.03     0.00   0.01   0.01
    26   1     0.02   0.00  -0.00    -0.07  -0.04  -0.05    -0.08   0.02   0.03
    27   1     0.01   0.00  -0.00     0.11  -0.05  -0.06    -0.14   0.03   0.03
    28   1    -0.04   0.04  -0.13     0.05   0.01  -0.12    -0.03   0.10   0.04
    29   6    -0.04  -0.05  -0.06     0.03   0.02  -0.00     0.01   0.01   0.02
    30   1     0.32   0.18   0.31     0.34   0.02  -0.38     0.21   0.04  -0.08
    31   1    -0.02  -0.12   0.05     0.07   0.14   0.21    -0.01  -0.08  -0.08
    32   1     0.06   0.02   0.12    -0.03   0.01   0.09     0.09   0.03  -0.01
    33   1    -0.14  -0.26  -0.12    -0.15  -0.13  -0.06     0.10   0.06   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.3253               822.9534               838.2083
 Red. masses --      2.2055                 3.8156                 2.7210
 Frc consts  --      0.8448                 1.5225                 1.1264
 IR Inten    --      8.5112                 9.5522                 0.4200
 RamAct Fr= 1--     27.8169                 1.3027                 6.3039
  Dep-P Fr= 1--      0.0562                 0.1539                 0.0944
  Dep-U Fr= 1--      0.1064                 0.2667                 0.1725
 Alpha2 Fr= 1--      0.5414                 0.0199                 0.1119
 Beta2  Fr= 1--      0.4932                 0.0579                 0.1812
 AlphaG Fr= 1--      0.1205                 0.0265                -0.0388
 Gamma2 Fr= 1--     -1.8124                 1.1988                 3.9266
 Delta2 Fr= 1--     -1.2925                 0.2656                 2.5871
 Raman1 Fr= 1--     111.268                  5.211                 25.216
 ROA1   Fr= 1--    -215.348                123.584                459.740
 CID1   Fr= 1--      -1.935                 23.716                 18.232
 Raman2 Fr= 1--       5.919                  0.695                  2.175
 ROA2   Fr= 1--     -33.157                 26.646                 73.542
 CID2   Fr= 1--      -5.602                 38.340                 33.820
 Raman3 Fr= 1--      11.838                  1.390                  4.349
 ROA3   Fr= 1--    -215.348                123.584                459.740
 CID3   Fr= 1--     -18.192                 88.909                105.710
 RC180  Fr= 1--      -0.787                 -0.467                 -0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.04     0.07   0.02   0.02     0.02  -0.03   0.04
     2   6     0.02  -0.01  -0.01    -0.02  -0.11  -0.03     0.00   0.06   0.02
     3   6    -0.00  -0.07   0.03     0.06  -0.05   0.01     0.04  -0.02   0.07
     4   6    -0.01   0.08   0.03    -0.04   0.12   0.05    -0.04  -0.02  -0.01
     5   6    -0.00  -0.05  -0.05     0.05  -0.00  -0.10     0.05  -0.01  -0.07
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.04  -0.02  -0.06
     7   6     0.01   0.14   0.04    -0.15   0.05   0.08    -0.11  -0.09  -0.00
     8   6     0.01   0.00  -0.10    -0.01  -0.01  -0.02    -0.04  -0.04   0.08
     9   6     0.05  -0.12   0.03     0.00  -0.01  -0.00    -0.06   0.13  -0.03
    10   6    -0.09   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.06  -0.08    -0.12   0.01   0.11    -0.07   0.11  -0.10
    12   6    -0.05  -0.06   0.05     0.31   0.04  -0.08    -0.03  -0.07   0.06
    13   8     0.04  -0.01   0.04    -0.06  -0.02   0.06     0.04  -0.02   0.07
    14   8     0.01  -0.02  -0.04    -0.07  -0.04  -0.01     0.00  -0.04  -0.07
    15   1    -0.02   0.33   0.15     0.12   0.14   0.08    -0.01  -0.07   0.02
    16   1     0.04   0.16   0.10     0.15  -0.16  -0.11     0.11   0.06   0.05
    17   1     0.07   0.27   0.08     0.13  -0.15  -0.11     0.17   0.26   0.06
    18   1     0.02   0.41   0.13     0.05   0.19   0.01     0.06   0.12  -0.02
    19   1     0.06  -0.04   0.05    -0.20   0.13   0.06    -0.18   0.02  -0.01
    20   1    -0.00   0.20   0.20    -0.09   0.03  -0.03    -0.22  -0.19  -0.14
    21   1     0.08   0.02  -0.08     0.12   0.08   0.01    -0.05  -0.03   0.07
    22   1     0.04  -0.20   0.12     0.00  -0.02   0.02    -0.05   0.25  -0.13
    23   1    -0.02   0.00   0.02    -0.01   0.04  -0.00     0.02   0.02  -0.02
    24   1     0.02  -0.16   0.11    -0.00  -0.04   0.04    -0.01   0.13  -0.09
    25   1     0.11   0.01   0.04     0.18   0.03   0.03    -0.03   0.02  -0.02
    26   1    -0.13   0.04   0.08     0.06   0.04   0.06     0.24  -0.02  -0.06
    27   1    -0.24   0.05   0.08    -0.14   0.05   0.07     0.14   0.00  -0.06
    28   1    -0.02  -0.05  -0.10    -0.20   0.26   0.14    -0.12   0.00  -0.13
    29   6     0.02   0.04  -0.01    -0.08  -0.06  -0.02     0.01   0.08   0.01
    30   1    -0.07  -0.07  -0.14     0.15  -0.01  -0.14    -0.07  -0.11  -0.24
    31   1     0.05   0.05   0.15    -0.13  -0.25  -0.29     0.03  -0.10   0.10
    32   1     0.03   0.07   0.16     0.08  -0.02  -0.11     0.22   0.21   0.31
    33   1    -0.12  -0.15  -0.07     0.15   0.11   0.05    -0.06  -0.21  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4059               858.9698               873.5504
 Red. masses --      1.3155                 3.2405                 1.8246
 Frc consts  --      0.5645                 1.4087                 0.8203
 IR Inten    --      1.0266                 4.0737                18.3742
 RamAct Fr= 1--      1.1921                13.1034                 5.4279
  Dep-P Fr= 1--      0.5749                 0.1602                 0.0500
  Dep-U Fr= 1--      0.7301                 0.2761                 0.0953
 Alpha2 Fr= 1--      0.0039                 0.1974                 0.1072
 Beta2  Fr= 1--      0.1451                 0.6030                 0.0862
 AlphaG Fr= 1--     -0.0092                -0.0659                 0.0681
 Gamma2 Fr= 1--     -0.3468                -0.0752                -1.3219
 Delta2 Fr= 1--     -0.3266                -0.8592                -0.6035
 Raman1 Fr= 1--       4.769                 52.414                 21.712
 ROA1   Fr= 1--     -43.741                -34.716               -146.213
 CID1   Fr= 1--      -9.173                 -0.662                 -6.734
 Raman2 Fr= 1--       1.741                  7.236                  1.035
 ROA2   Fr= 1--      -5.709                  5.068                -26.898
 CID2   Fr= 1--      -3.280                  0.700                -25.997
 Raman3 Fr= 1--       3.481                 14.471                  2.069
 ROA3   Fr= 1--     -43.741                -34.716               -146.213
 CID3   Fr= 1--     -12.564                 -2.399                -70.658
 RC180  Fr= 1--       0.460                 -0.448                 -0.809
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03    -0.02  -0.06   0.14    -0.01  -0.08  -0.03
     2   6     0.01   0.02   0.01     0.02  -0.04  -0.02     0.02   0.11   0.04
     3   6     0.00   0.06   0.02     0.04  -0.07   0.15    -0.02  -0.07  -0.04
     4   6     0.00   0.02   0.01    -0.03   0.00   0.01     0.02   0.10   0.03
     5   6    -0.01  -0.07  -0.03     0.02   0.08  -0.14    -0.03  -0.05  -0.00
     6   6    -0.02  -0.07  -0.04    -0.05   0.08  -0.15    -0.02  -0.05  -0.00
     7   6     0.01  -0.02   0.01    -0.12   0.01   0.06     0.04  -0.04  -0.05
     8   6    -0.00  -0.01   0.00    -0.02  -0.03   0.01    -0.01  -0.03   0.03
     9   6    -0.01   0.01  -0.00    -0.02   0.03  -0.01    -0.03   0.05  -0.01
    10   6     0.00  -0.00   0.00     0.04  -0.02  -0.01     0.03  -0.01   0.02
    11   6     0.03  -0.03   0.03     0.15  -0.11   0.00     0.03  -0.02   0.05
    12   6     0.01   0.02  -0.02    -0.08   0.04  -0.02     0.05   0.02  -0.03
    13   8    -0.01   0.01  -0.02    -0.01   0.02  -0.08    -0.02   0.00  -0.01
    14   8    -0.00   0.01   0.02     0.02   0.05   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.42  -0.15    -0.13   0.12   0.15     0.06   0.50   0.18
    16   1    -0.04  -0.40  -0.14     0.15   0.00   0.11     0.04   0.48   0.16
    17   1     0.05   0.50   0.17     0.13  -0.18  -0.18    -0.03   0.27   0.10
    18   1     0.03   0.49   0.17    -0.16  -0.06  -0.13    -0.01   0.23   0.11
    19   1    -0.01   0.03   0.00    -0.19   0.12   0.05     0.05  -0.14  -0.05
    20   1     0.01  -0.03  -0.04    -0.12  -0.04  -0.07    -0.09  -0.06   0.02
    21   1     0.01   0.01   0.00     0.07   0.05   0.03    -0.13  -0.10  -0.00
    22   1    -0.00   0.03  -0.01    -0.01   0.07  -0.02    -0.02   0.12  -0.06
    23   1    -0.00   0.02  -0.00     0.00   0.05  -0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01     0.01  -0.00   0.01     0.00   0.06  -0.05
    25   1    -0.01  -0.00  -0.00     0.13   0.03   0.02    -0.15   0.00  -0.03
    26   1     0.00  -0.00  -0.00     0.12   0.02   0.03     0.10  -0.03  -0.07
    27   1     0.00  -0.00  -0.00    -0.08   0.04   0.04     0.14  -0.01  -0.08
    28   1     0.04  -0.02   0.03     0.22  -0.17  -0.00     0.04   0.05   0.06
    29   6     0.00  -0.03  -0.00     0.06  -0.04   0.00    -0.02  -0.06  -0.02
    30   1     0.01   0.03   0.06     0.03   0.10   0.21     0.03   0.03   0.05
    31   1     0.00   0.06  -0.01     0.10   0.32   0.19    -0.03   0.04  -0.05
    32   1    -0.08  -0.07  -0.09    -0.28  -0.20  -0.19    -0.13  -0.13  -0.17
    33   1    -0.01   0.05   0.01    -0.10   0.09   0.01     0.01   0.08   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.1329               936.3125               954.7455
 Red. masses --      1.5045                 1.1988                 1.6012
 Frc consts  --      0.7135                 0.6192                 0.8600
 IR Inten    --      1.7278                 1.8709                 0.4041
 RamAct Fr= 1--      2.4847                 1.1585                 3.6849
  Dep-P Fr= 1--      0.7500                 0.4693                 0.7295
  Dep-U Fr= 1--      0.8571                 0.6388                 0.8436
 Alpha2 Fr= 1--      0.0000                 0.0066                 0.0013
 Beta2  Fr= 1--      0.3549                 0.1233                 0.5181
 AlphaG Fr= 1--     -0.0002                -0.0249                -0.0214
 Gamma2 Fr= 1--      0.6424                 0.2489                 0.9923
 Delta2 Fr= 1--      0.1097                 0.6511                -0.3290
 Raman1 Fr= 1--       9.939                  4.634                 14.739
 ROA1   Fr= 1--      65.179                 44.726                 84.728
 CID1   Fr= 1--       6.558                  9.652                  5.748
 Raman2 Fr= 1--       4.259                  1.480                  6.217
 ROA2   Fr= 1--      14.539                  0.764                 26.446
 CID2   Fr= 1--       3.413                  0.516                  4.254
 Raman3 Fr= 1--       8.518                  2.960                 12.434
 ROA3   Fr= 1--      65.179                 44.726                 84.728
 CID3   Fr= 1--       7.651                 15.109                  6.814
 RC180  Fr= 1--       0.714                  0.278                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.05    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     2   6     0.02   0.04   0.02     0.01   0.01   0.00    -0.01  -0.00   0.00
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.02   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.00  -0.09  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.01   0.09   0.01
     7   6     0.07  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.09  -0.01
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.07   0.07   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.05  -0.02   0.03
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.06   0.07  -0.00
    11   6     0.00   0.01  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.02   0.08  -0.02    -0.00   0.00  -0.01    -0.00  -0.01  -0.00
    16   1    -0.08   0.13   0.06    -0.02   0.03   0.01     0.02   0.08   0.04
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.09   0.53   0.17
    18   1     0.02  -0.01  -0.03    -0.00  -0.01   0.00    -0.05  -0.50  -0.21
    19   1    -0.09   0.49   0.11     0.03   0.02   0.01    -0.16  -0.00  -0.04
    20   1     0.18  -0.25  -0.42     0.05   0.02   0.01    -0.02  -0.12  -0.12
    21   1     0.14   0.26   0.03     0.25  -0.23   0.06     0.13   0.07   0.02
    22   1     0.01   0.13   0.10    -0.04   0.40  -0.28     0.02  -0.20   0.05
    23   1    -0.03   0.35  -0.03     0.25  -0.36   0.09    -0.03  -0.08   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.11    -0.07   0.11  -0.05
    25   1     0.11   0.01   0.02     0.44  -0.14   0.05    -0.00  -0.09   0.01
    26   1    -0.04   0.01   0.04    -0.31   0.01   0.17    -0.36  -0.01   0.04
    27   1    -0.14   0.01   0.07    -0.01  -0.09   0.16     0.13  -0.09   0.04
    28   1    -0.02  -0.00  -0.01    -0.00   0.00   0.00     0.01   0.01   0.01
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    30   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.02    -0.00   0.00   0.00    -0.01   0.01  -0.00
    32   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    33   1    -0.02  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5993               972.2271               978.7170
 Red. masses --      1.6232                 1.4822                 1.3906
 Frc consts  --      0.8825                 0.8255                 0.7848
 IR Inten    --      0.1155                 0.0359                 0.0540
 RamAct Fr= 1--      2.0140                 1.9140                 0.5247
  Dep-P Fr= 1--      0.6444                 0.5967                 0.7097
  Dep-U Fr= 1--      0.7837                 0.7474                 0.8302
 Alpha2 Fr= 1--      0.0038                 0.0054                 0.0004
 Beta2  Fr= 1--      0.2631                 0.2384                 0.0726
 AlphaG Fr= 1--      0.0123                -0.0182                -0.0081
 Gamma2 Fr= 1--      1.2706                 0.7917                -0.7476
 Delta2 Fr= 1--      0.4482                -0.0272                 0.4574
 Raman1 Fr= 1--       8.056                  7.656                  2.099
 ROA1   Fr= 1--     136.321                 75.130                -57.130
 CID1   Fr= 1--      16.922                  9.813                -27.218
 Raman2 Fr= 1--       3.157                  2.861                  0.871
 ROA2   Fr= 1--      26.909                 19.217                -21.600
 CID2   Fr= 1--       8.524                  6.717                -24.791
 Raman3 Fr= 1--       6.314                  5.722                  1.743
 ROA3   Fr= 1--     136.321                 75.130                -57.130
 CID3   Fr= 1--      21.591                 13.130                -32.785
 RC180  Fr= 1--       0.567                  0.495                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.00  -0.01   0.00     0.01   0.11   0.05
     2   6    -0.01   0.03   0.02    -0.01  -0.00  -0.00    -0.00  -0.03  -0.01
     3   6     0.01  -0.04  -0.00     0.01   0.01   0.01    -0.01  -0.11  -0.04
     4   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
     5   6     0.02   0.08   0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     6   6    -0.01  -0.09  -0.05     0.00   0.01   0.00    -0.00   0.01  -0.00
     7   6    -0.04  -0.10  -0.02    -0.02   0.02  -0.01    -0.00   0.03   0.00
     8   6     0.07   0.07   0.01    -0.07   0.06  -0.02    -0.03  -0.00  -0.01
     9   6     0.04  -0.02   0.03    -0.03  -0.12  -0.02    -0.01  -0.02  -0.01
    10   6    -0.05   0.08   0.00     0.10   0.07   0.04     0.03  -0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.10  -0.04     0.01   0.07   0.03    -0.07  -0.63  -0.22
    16   1     0.03   0.18   0.08     0.01  -0.10  -0.03     0.06   0.64   0.24
    17   1    -0.01  -0.45  -0.16     0.01   0.02  -0.00     0.00   0.04   0.02
    18   1     0.06   0.51   0.16     0.00  -0.03  -0.01    -0.01  -0.06  -0.02
    19   1    -0.17  -0.03  -0.05    -0.03  -0.01  -0.01     0.04   0.01   0.01
    20   1    -0.06  -0.16  -0.14    -0.03   0.02   0.02     0.03   0.07   0.06
    21   1     0.12   0.07   0.02    -0.26   0.19  -0.06    -0.07   0.02  -0.02
    22   1     0.02  -0.16   0.03     0.03   0.20   0.08     0.00   0.03   0.01
    23   1    -0.01  -0.09   0.01     0.08   0.16   0.03     0.00   0.03   0.00
    24   1    -0.05   0.09  -0.05     0.21  -0.45   0.26     0.03  -0.07   0.05
    25   1    -0.04  -0.11   0.01    -0.15  -0.12  -0.05    -0.00   0.02  -0.01
    26   1    -0.40  -0.03   0.02    -0.17  -0.09  -0.12     0.09  -0.00  -0.02
    27   1     0.20  -0.11   0.02     0.56  -0.15  -0.10     0.01   0.01  -0.02
    28   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.04   0.06   0.02
    29   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
    31   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.01  -0.03
    32   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.02  -0.03  -0.04
    33   1     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7872              1046.1459              1083.9346
 Red. masses --      1.9231                 2.8143                 2.1146
 Frc consts  --      1.1668                 1.8147                 1.4638
 IR Inten    --      2.6983                 3.9924                58.6672
 RamAct Fr= 1--     10.4049                 0.0880                 1.7320
  Dep-P Fr= 1--      0.2220                 0.7449                 0.6477
  Dep-U Fr= 1--      0.3633                 0.8538                 0.7862
 Alpha2 Fr= 1--      0.1332                 0.0000                 0.0032
 Beta2  Fr= 1--      0.6300                 0.0125                 0.2269
 AlphaG Fr= 1--      0.0267                 0.0002                 0.0119
 Gamma2 Fr= 1--     -0.1182                 0.0027                -0.8891
 Delta2 Fr= 1--     -1.5206                 0.1174                 1.0893
 Raman1 Fr= 1--      41.620                  0.352                  6.928
 ROA1   Fr= 1--     -60.008                  4.013                -50.501
 CID1   Fr= 1--      -1.442                 11.397                 -7.289
 Raman2 Fr= 1--       7.560                  0.150                  2.723
 ROA2   Fr= 1--       9.328                 -0.875                -30.054
 CID2   Fr= 1--       1.234                 -5.822                -11.036
 Raman3 Fr= 1--      15.121                  0.301                  5.447
 ROA3   Fr= 1--     -60.008                  4.013                -50.501
 CID3   Fr= 1--      -3.969                 13.348                 -9.272
 RC180  Fr= 1--      -0.273                  0.708                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06     0.00   0.07  -0.19     0.01   0.01  -0.03
     2   6    -0.00   0.01  -0.02    -0.03   0.01  -0.00     0.00  -0.01   0.04
     3   6     0.00   0.01   0.04     0.05  -0.07   0.19    -0.02   0.01   0.00
     4   6     0.07  -0.02  -0.04    -0.04   0.00  -0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02     0.01   0.06  -0.18     0.02   0.02  -0.05
     6   6    -0.03   0.01  -0.03     0.05  -0.07   0.19    -0.05   0.01  -0.03
     7   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.01   0.00   0.03
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.00  -0.04
     9   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01   0.00   0.03
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.02
    11   6     0.10   0.16  -0.02     0.01   0.02  -0.02     0.09   0.04   0.17
    12   6    -0.07  -0.02   0.04    -0.00   0.00   0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02     0.00  -0.00   0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02     0.00  -0.00  -0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06    -0.32   0.14  -0.31     0.06   0.01  -0.01
    16   1    -0.03  -0.15   0.01    -0.20  -0.11   0.36    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01    -0.31   0.13  -0.30     0.08  -0.02  -0.04
    18   1    -0.00   0.03  -0.05    -0.20  -0.11   0.38    -0.19  -0.00   0.07
    19   1     0.04   0.02   0.01     0.09   0.03   0.01    -0.20  -0.02  -0.02
    20   1    -0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.22   0.07   0.00
    21   1     0.03   0.02   0.01     0.02   0.02   0.01    -0.12  -0.11  -0.07
    22   1     0.00   0.01   0.01    -0.00   0.01   0.00    -0.01  -0.03  -0.04
    23   1    -0.00   0.02  -0.00    -0.00   0.02  -0.00     0.01  -0.11   0.02
    24   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.07  -0.06
    25   1     0.02  -0.00   0.00     0.02   0.00   0.00    -0.07   0.01  -0.01
    26   1    -0.01   0.00   0.01    -0.00   0.00   0.01     0.06  -0.01  -0.04
    27   1    -0.02  -0.00   0.01    -0.02   0.00   0.01     0.04   0.01  -0.04
    28   1     0.44   0.45   0.11     0.10   0.07   0.01     0.06  -0.31   0.09
    29   6    -0.12  -0.09  -0.02    -0.00  -0.02   0.01    -0.06   0.01  -0.12
    30   1    -0.01  -0.04  -0.06    -0.00  -0.00  -0.01     0.08   0.07   0.27
    31   1    -0.19  -0.27  -0.44    -0.01   0.03  -0.04    -0.04  -0.25   0.07
    32   1     0.06  -0.06  -0.23    -0.03  -0.04  -0.07     0.12   0.14   0.28
    33   1     0.22   0.17   0.08     0.02   0.06   0.03    -0.17  -0.43  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.1377              1107.2655              1138.5819
 Red. masses --      1.5649                 1.8178                 2.1576
 Frc consts  --      1.1098                 1.3131                 1.6480
 IR Inten    --     13.4805                32.1633                 6.8396
 RamAct Fr= 1--      2.8885                 5.4891                18.5636
  Dep-P Fr= 1--      0.5899                 0.1369                 0.3628
  Dep-U Fr= 1--      0.7421                 0.2409                 0.5324
 Alpha2 Fr= 1--      0.0086                 0.0877                 0.1563
 Beta2  Fr= 1--      0.3572                 0.2204                 1.6473
 AlphaG Fr= 1--     -0.0005                 0.0476                 0.0957
 Gamma2 Fr= 1--      1.7083                -0.7125                -1.2979
 Delta2 Fr= 1--      1.8723                -0.7495                -0.4100
 Raman1 Fr= 1--      11.554                 21.956                 74.254
 ROA1   Fr= 1--     223.909                -92.380               -137.714
 CID1   Fr= 1--      19.379                 -4.207                 -1.855
 Raman2 Fr= 1--       4.287                  2.645                 19.768
 ROA2   Fr= 1--      26.020                -11.103                -27.869
 CID2   Fr= 1--       6.070                 -4.198                 -1.410
 Raman3 Fr= 1--       8.574                  5.289                 39.536
 ROA3   Fr= 1--     223.909                -92.380               -137.714
 CID3   Fr= 1--      26.115                -17.466                 -3.483
 RC180  Fr= 1--       0.484                 -0.518                  0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05    -0.01   0.01  -0.03     0.02   0.02  -0.01
     2   6     0.01  -0.01   0.04     0.01  -0.00   0.05    -0.02  -0.06   0.00
     3   6    -0.03   0.02  -0.03    -0.02  -0.01   0.01    -0.02   0.00  -0.00
     4   6    -0.04  -0.05   0.03     0.05   0.03   0.02     0.02  -0.01   0.02
     5   6     0.02   0.01  -0.01     0.03  -0.00  -0.02     0.03   0.01  -0.03
     6   6     0.00   0.01  -0.02    -0.02   0.01  -0.04    -0.03   0.02  -0.01
     7   6     0.00  -0.01   0.05     0.02  -0.02   0.07     0.02   0.10   0.04
     8   6    -0.03   0.01  -0.05    -0.04   0.02  -0.08     0.17  -0.15  -0.03
     9   6     0.01  -0.00   0.04     0.02  -0.00   0.05    -0.07   0.05  -0.06
    10   6     0.02  -0.01   0.02     0.02  -0.01   0.02    -0.08   0.07   0.08
    11   6    -0.02   0.11  -0.00    -0.01  -0.09  -0.10    -0.00   0.00  -0.01
    12   6    -0.02  -0.01   0.02     0.00  -0.06  -0.04    -0.01  -0.03  -0.01
    13   8     0.02  -0.02   0.03    -0.01   0.01  -0.03    -0.00   0.00  -0.01
    14   8     0.01  -0.01  -0.00     0.01   0.04   0.07     0.01   0.01   0.02
    15   1     0.12   0.00  -0.01    -0.03   0.03  -0.03     0.17  -0.09   0.03
    16   1    -0.10  -0.04  -0.00    -0.18   0.00   0.14    -0.15  -0.02   0.09
    17   1     0.16  -0.07   0.03     0.14   0.02   0.03     0.17  -0.03   0.02
    18   1    -0.04   0.00   0.01    -0.08   0.02   0.00    -0.17  -0.06   0.07
    19   1    -0.28  -0.01  -0.02    -0.38   0.01  -0.02    -0.08  -0.10   0.01
    20   1     0.27   0.08  -0.01     0.40   0.10  -0.03    -0.22  -0.01   0.02
    21   1    -0.15  -0.11  -0.08    -0.20  -0.15  -0.12     0.22  -0.44  -0.03
    22   1    -0.00  -0.06  -0.05    -0.01  -0.08  -0.07    -0.03   0.29  -0.09
    23   1     0.01  -0.15   0.02     0.01  -0.22   0.03     0.07   0.15  -0.02
    24   1    -0.02   0.09  -0.08    -0.03   0.13  -0.11     0.11  -0.10   0.00
    25   1    -0.07   0.01  -0.01    -0.10   0.02  -0.02    -0.40  -0.08  -0.02
    26   1     0.08  -0.02  -0.05     0.11  -0.02  -0.06    -0.23  -0.07  -0.11
    27   1     0.05   0.01  -0.05     0.06   0.02  -0.06     0.21  -0.04  -0.07
    28   1    -0.21   0.38   0.02     0.10  -0.04  -0.07    -0.06   0.07  -0.00
    29   6     0.07  -0.09  -0.03    -0.05   0.06   0.08    -0.00   0.00   0.00
    30   1    -0.03  -0.04  -0.09    -0.03  -0.03  -0.14    -0.02  -0.02  -0.08
    31   1     0.11   0.35   0.17    -0.10  -0.21  -0.22    -0.00  -0.01  -0.01
    32   1    -0.32  -0.26  -0.23     0.24   0.16   0.04     0.01   0.01   0.00
    33   1    -0.19   0.10  -0.02     0.26   0.12   0.13     0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.1833              1161.5240              1193.9285
 Red. masses --      1.5742                 2.0478                 1.7717
 Frc consts  --      1.2227                 1.6278                 1.4880
 IR Inten    --     39.8987               146.6821                10.4164
 RamAct Fr= 1--      2.1447                 1.2827                 2.9584
  Dep-P Fr= 1--      0.5741                 0.6136                 0.4862
  Dep-U Fr= 1--      0.7294                 0.7605                 0.6543
 Alpha2 Fr= 1--      0.0071                 0.0032                 0.0156
 Beta2  Fr= 1--      0.2607                 0.1626                 0.3226
 AlphaG Fr= 1--     -0.0132                 0.0099                -0.0004
 Gamma2 Fr= 1--     -0.6892                -1.3642                -1.6446
 Delta2 Fr= 1--     -1.1930                -0.4529                 0.5733
 Raman1 Fr= 1--       8.579                  5.131                 11.834
 ROA1   Fr= 1--    -104.340               -145.454               -139.538
 CID1   Fr= 1--     -12.163                -28.349                -11.792
 Raman2 Fr= 1--       3.129                  1.951                  3.871
 ROA2   Fr= 1--      -6.997                -29.118                -44.057
 CID2   Fr= 1--      -2.237                -14.925                -11.380
 Raman3 Fr= 1--       6.257                  3.902                  7.743
 ROA3   Fr= 1--    -104.340               -145.454               -139.538
 CID3   Fr= 1--     -16.675                -37.277                -18.021
 RC180  Fr= 1--       0.459                  0.521                  0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.01    -0.05  -0.00   0.02     0.00   0.00  -0.01
     2   6    -0.01  -0.01  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.01
     3   6     0.05  -0.01   0.01     0.06  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.04   0.02  -0.03     0.05  -0.02  -0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.01   0.03    -0.04   0.01  -0.01    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.00     0.03   0.00  -0.01     0.00   0.00  -0.00
     7   6     0.01   0.02   0.07     0.01  -0.00   0.02    -0.02  -0.04  -0.05
     8   6     0.03  -0.04  -0.06     0.00  -0.00  -0.02     0.12   0.14  -0.02
     9   6    -0.01   0.02   0.02    -0.00   0.00   0.01    -0.10  -0.06   0.04
    10   6    -0.01   0.02   0.04    -0.00   0.00   0.01    -0.05  -0.10   0.05
    11   6    -0.01  -0.01  -0.02     0.03   0.03   0.12     0.00  -0.00  -0.00
    12   6     0.01   0.07   0.04    -0.01  -0.14  -0.09     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.00
    15   1    -0.36   0.06  -0.11    -0.31   0.05  -0.07    -0.01   0.02  -0.01
    16   1     0.31   0.04  -0.16     0.24   0.01  -0.13    -0.02  -0.00   0.01
    17   1    -0.30   0.05  -0.05    -0.36   0.06  -0.14    -0.01   0.00  -0.00
    18   1     0.44   0.04  -0.26     0.19   0.02  -0.12     0.02   0.00  -0.02
    19   1    -0.22   0.02   0.02    -0.05   0.01   0.00    -0.20  -0.16  -0.09
    20   1     0.14   0.02  -0.04     0.05   0.00  -0.01     0.04   0.01  -0.01
    21   1    -0.03  -0.20  -0.08    -0.01  -0.03  -0.02     0.28   0.33   0.03
    22   1    -0.02   0.04  -0.08    -0.00   0.01  -0.02    -0.04   0.33  -0.11
    23   1     0.03  -0.09   0.01     0.01  -0.03   0.01     0.26  -0.15   0.11
    24   1     0.02   0.05  -0.07     0.00   0.01  -0.02     0.23  -0.25   0.02
    25   1    -0.19  -0.02  -0.02    -0.04   0.00  -0.00    -0.23   0.22   0.00
    26   1    -0.02  -0.04  -0.08     0.01  -0.01  -0.02     0.34   0.01  -0.03
    27   1     0.12  -0.01  -0.06     0.02   0.00  -0.02    -0.26   0.16  -0.09
    28   1     0.13  -0.16  -0.03    -0.22   0.25   0.12     0.00  -0.01  -0.00
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09    -0.00  -0.00   0.00
    30   1     0.05   0.07   0.23    -0.08  -0.14  -0.44     0.00   0.00   0.01
    31   1     0.00   0.04  -0.01     0.02  -0.07   0.14    -0.00   0.00  -0.00
    32   1    -0.03  -0.04  -0.05     0.01   0.07   0.17    -0.00  -0.00  -0.00
    33   1     0.03   0.07   0.04    -0.16  -0.25  -0.17     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8261              1221.8768              1236.3067
 Red. masses --      1.2711                 2.1347                 2.3457
 Frc consts  --      1.0998                 1.8778                 2.1124
 IR Inten    --      3.7377                 8.9347                 2.3819
 RamAct Fr= 1--     50.6900                41.9631                37.0212
  Dep-P Fr= 1--      0.1047                 0.1672                 0.1360
  Dep-U Fr= 1--      0.1895                 0.2865                 0.2394
 Alpha2 Fr= 1--      0.8774                 0.6208                 0.5929
 Beta2  Fr= 1--      1.6009                 2.0036                 1.4770
 AlphaG Fr= 1--     -0.1856                -0.0066                 0.0636
 Gamma2 Fr= 1--     -2.4028                 0.9372                 1.6065
 Delta2 Fr= 1--      0.1208                -0.1322                 0.0136
 Raman1 Fr= 1--     202.760                167.853                148.085
 ROA1   Fr= 1--    -226.802                 85.740                154.656
 CID1   Fr= 1--      -1.119                  0.511                  1.044
 Raman2 Fr= 1--      19.211                 24.044                 17.724
 ROA2   Fr= 1--     -58.633                 23.551                 38.446
 CID2   Fr= 1--      -3.052                  0.980                  2.169
 Raman3 Fr= 1--      38.422                 48.087                 35.448
 ROA3   Fr= 1--    -226.802                 85.740                154.656
 CID3   Fr= 1--      -5.903                  1.783                  4.363
 RC180  Fr= 1--      -0.621                 -0.427                 -0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.04     0.03   0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.02
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.00     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.03    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.06
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.03
    10   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.04   0.00   0.01    -0.10  -0.01  -0.02     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.03   0.02    -0.00   0.00   0.00
    13   8    -0.00   0.01  -0.01     0.01  -0.02   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.01  -0.04    -0.00   0.00  -0.01
    15   1    -0.38   0.10  -0.18    -0.49   0.09  -0.10    -0.30   0.08  -0.15
    16   1     0.38   0.07  -0.30     0.21   0.02  -0.11    -0.31  -0.01   0.11
    17   1     0.50  -0.13   0.23     0.03   0.01  -0.05    -0.41   0.06  -0.07
    18   1    -0.30  -0.06   0.26    -0.42  -0.03   0.20    -0.16  -0.03   0.14
    19   1    -0.07  -0.00  -0.00     0.02  -0.01  -0.01    -0.50  -0.19  -0.08
    20   1    -0.04  -0.00   0.00     0.08   0.03   0.03    -0.24  -0.02   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00   0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00     0.00  -0.03   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.02   0.05
    28   1     0.22  -0.02   0.03    -0.52   0.04  -0.09    -0.13   0.02  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.01   0.00   0.01
    30   1    -0.01  -0.02  -0.06     0.03   0.06   0.19     0.01   0.02   0.07
    31   1    -0.00  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.04
    32   1     0.03   0.03   0.03    -0.07  -0.06  -0.07     0.01  -0.00  -0.03
    33   1     0.01  -0.03  -0.02    -0.01   0.10   0.06     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7401              1280.4584              1309.5396
 Red. masses --      1.6066                 1.7882                 1.6120
 Frc consts  --      1.4761                 1.7274                 1.6288
 IR Inten    --      1.3063                 2.5781                 3.7615
 RamAct Fr= 1--      6.3294                 4.1122                 3.3546
  Dep-P Fr= 1--      0.5642                 0.5348                 0.6730
  Dep-U Fr= 1--      0.7214                 0.6969                 0.8046
 Alpha2 Fr= 1--      0.0223                 0.0171                 0.0046
 Beta2  Fr= 1--      0.7610                 0.4776                 0.4498
 AlphaG Fr= 1--     -0.0467                -0.0088                -0.0171
 Gamma2 Fr= 1--     -2.9122                 0.7173                -2.2325
 Delta2 Fr= 1--      0.0546                -0.3346                 0.9962
 Raman1 Fr= 1--      25.318                 16.449                 13.418
 ROA1   Fr= 1--    -277.824                 58.149               -182.438
 CID1   Fr= 1--     -10.974                  3.535                -13.596
 Raman2 Fr= 1--       9.132                  5.732                  5.398
 ROA2   Fr= 1--     -70.329                 19.891                -61.548
 CID2   Fr= 1--      -7.702                  3.471                -11.402
 Raman3 Fr= 1--      18.264                 11.463                 10.796
 ROA3   Fr= 1--    -277.824                 58.149               -182.438
 CID3   Fr= 1--     -15.212                  5.073                -16.899
 RC180  Fr= 1--       0.443                  0.394                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.04     0.02  -0.01   0.04     0.03  -0.01   0.02
     2   6    -0.06  -0.01   0.08     0.01   0.01  -0.03     0.00   0.01  -0.03
     3   6     0.03  -0.00  -0.01    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.04  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.09
     5   6    -0.01   0.01  -0.03     0.04  -0.02   0.04     0.03  -0.01   0.03
     6   6     0.01   0.00  -0.03    -0.04  -0.00   0.01    -0.03  -0.01   0.02
     7   6     0.01  -0.00  -0.06    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     8   6     0.02   0.00   0.14     0.00   0.00   0.02    -0.00   0.00   0.00
     9   6    -0.00  -0.02  -0.09     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    10   6    -0.01  -0.00  -0.05    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.15   0.05   0.04    -0.07  -0.07   0.00
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.02     0.01  -0.10  -0.06
    13   8     0.00   0.00   0.00    -0.02   0.00  -0.05     0.02   0.00   0.05
    14   8     0.00   0.00   0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1     0.01   0.02  -0.02    -0.21   0.04  -0.04    -0.12   0.03  -0.03
    16   1     0.05   0.01  -0.02    -0.23  -0.05   0.19    -0.12  -0.02   0.10
    17   1     0.12  -0.01   0.02     0.10  -0.04   0.06     0.10  -0.02   0.06
    18   1     0.20   0.05  -0.15     0.04   0.02  -0.05     0.08   0.01  -0.05
    19   1    -0.32  -0.29  -0.14    -0.13  -0.05  -0.03    -0.04   0.00  -0.01
    20   1     0.47   0.28   0.17     0.10   0.05   0.02     0.10   0.05   0.02
    21   1     0.09  -0.23   0.16     0.02  -0.06   0.02     0.07  -0.05   0.02
    22   1     0.03   0.06   0.16     0.01   0.01   0.02     0.00   0.00   0.01
    23   1    -0.05   0.31  -0.07    -0.01   0.04  -0.01    -0.01   0.02  -0.01
    24   1    -0.03  -0.15   0.15    -0.01  -0.02   0.02    -0.01  -0.01   0.01
    25   1     0.14  -0.02   0.01     0.01  -0.00   0.00    -0.01  -0.00   0.00
    26   1    -0.05   0.05   0.11    -0.00   0.01   0.01     0.01  -0.00  -0.00
    27   1    -0.08  -0.04   0.10    -0.01  -0.01   0.01     0.01  -0.00  -0.00
    28   1     0.03   0.01  -0.00     0.53  -0.38   0.07     0.28   0.51   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.00   0.00   0.00    -0.09  -0.17  -0.43     0.09   0.23   0.58
    31   1    -0.01  -0.02  -0.02     0.06   0.12   0.07     0.07   0.02   0.16
    32   1     0.03   0.01  -0.00    -0.14  -0.08   0.01    -0.02   0.05   0.15
    33   1     0.02   0.00   0.01    -0.15   0.02  -0.04    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.8183              1349.4374              1363.4578
 Red. masses --      1.3454                 2.1942                 1.5518
 Frc consts  --      1.3787                 2.3542                 1.6997
 IR Inten    --      1.6020                 1.2761                 1.3672
 RamAct Fr= 1--     23.1397                 5.3789                 3.5579
  Dep-P Fr= 1--      0.2909                 0.6117                 0.4633
  Dep-U Fr= 1--      0.4507                 0.7591                 0.6332
 Alpha2 Fr= 1--      0.2438                 0.0137                 0.0207
 Beta2  Fr= 1--      1.7381                 0.6805                 0.3755
 AlphaG Fr= 1--     -0.0754                 0.1062                 0.0332
 Gamma2 Fr= 1--     -3.6064                 7.3533                 0.1935
 Delta2 Fr= 1--     -0.3396                 3.1276                 0.0619
 Raman1 Fr= 1--      92.559                 21.516                 14.232
 ROA1   Fr= 1--    -357.085                806.000                 20.559
 CID1   Fr= 1--      -3.858                 37.461                  1.445
 Raman2 Fr= 1--      20.858                  8.166                  4.506
 ROA2   Fr= 1--     -83.838                151.459                  4.150
 CID2   Fr= 1--      -4.020                 18.547                  0.921
 Raman3 Fr= 1--      41.715                 16.333                  9.011
 ROA3   Fr= 1--    -357.085                806.000                 20.559
 CID3   Fr= 1--      -8.560                 49.349                  2.281
 RC180  Fr= 1--      -0.099                  0.518                  0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.01    -0.07   0.02  -0.03    -0.09   0.01  -0.02
     2   6     0.05   0.03  -0.02     0.03  -0.07   0.18     0.01   0.01  -0.00
     3   6    -0.02   0.00  -0.00     0.10   0.02  -0.08     0.04   0.00  -0.02
     4   6    -0.00   0.00  -0.00     0.02  -0.02   0.06     0.03  -0.03   0.10
     5   6    -0.00  -0.01   0.02    -0.12   0.03  -0.05    -0.03   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.07   0.02  -0.06     0.08   0.01  -0.05
     7   6    -0.11  -0.05  -0.03    -0.00   0.03  -0.05    -0.04  -0.03   0.02
     8   6    -0.05  -0.02  -0.04    -0.04  -0.07  -0.03     0.04   0.05   0.00
     9   6     0.02  -0.00  -0.01     0.01   0.02   0.03    -0.01  -0.01  -0.01
    10   6     0.00   0.02   0.06     0.01   0.02   0.02    -0.01  -0.01  -0.01
    11   6     0.01   0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6    -0.00   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.02   0.01    -0.22   0.05  -0.09     0.33  -0.08   0.14
    16   1     0.00   0.01  -0.02    -0.34  -0.05   0.23     0.16   0.03  -0.10
    17   1    -0.10   0.02  -0.02     0.33  -0.08   0.13    -0.24   0.05  -0.07
    18   1    -0.08  -0.00   0.06     0.14   0.02  -0.11    -0.33  -0.04   0.24
    19   1     0.29   0.22   0.07     0.25  -0.02   0.01     0.13   0.17   0.06
    20   1     0.45   0.28   0.19    -0.18  -0.01   0.04     0.05   0.01   0.02
    21   1     0.61  -0.06   0.13     0.22   0.46   0.06    -0.18  -0.32  -0.07
    22   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.09     0.01   0.03   0.04
    23   1    -0.06   0.07  -0.03    -0.04  -0.08   0.01     0.05   0.05   0.00
    24   1    -0.04   0.02   0.00    -0.01   0.08  -0.05     0.02  -0.03  -0.00
    25   1    -0.14  -0.02   0.01    -0.03  -0.06   0.00     0.03   0.05   0.00
    26   1     0.06  -0.04  -0.11    -0.02  -0.03  -0.07     0.02   0.02   0.03
    27   1     0.16  -0.00  -0.08     0.07  -0.01  -0.01    -0.02   0.01  -0.02
    28   1    -0.07  -0.04  -0.03     0.27   0.08   0.07     0.53   0.14   0.13
    29   6    -0.01  -0.00   0.01     0.01   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.01  -0.02  -0.05    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.01  -0.01  -0.02     0.02   0.01   0.01     0.04   0.02   0.07
    32   1     0.01  -0.00  -0.02    -0.02   0.00   0.02    -0.03   0.01   0.09
    33   1     0.02   0.01   0.01    -0.06  -0.03  -0.03    -0.06  -0.01  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.2949              1374.7353              1392.5279
 Red. masses --      1.4812                 1.3002                 1.9960
 Frc consts  --      1.6435                 1.4477                 2.2804
 IR Inten    --      0.6630                 2.0564                42.0235
 RamAct Fr= 1--      7.2414                19.0308                 4.6373
  Dep-P Fr= 1--      0.2440                 0.5100                 0.7460
  Dep-U Fr= 1--      0.3923                 0.6755                 0.8545
 Alpha2 Fr= 1--      0.0873                 0.0896                 0.0003
 Beta2  Fr= 1--      0.4735                 2.1426                 0.6605
 AlphaG Fr= 1--      0.1968                 0.0860                 0.0078
 Gamma2 Fr= 1--      3.2198                 0.6677                 1.3834
 Delta2 Fr= 1--     -0.0029                -1.8682                -1.9449
 Raman1 Fr= 1--      28.966                 76.123                 18.549
 ROA1   Fr= 1--     309.012                  4.316                 70.569
 CID1   Fr= 1--      10.668                  0.057                  3.804
 Raman2 Fr= 1--       5.682                 25.711                  7.926
 ROA2   Fr= 1--      77.299                 30.970                 48.761
 CID2   Fr= 1--      13.605                  1.205                  6.152
 Raman3 Fr= 1--      11.363                 51.422                 15.851
 ROA3   Fr= 1--     309.012                  4.316                 70.569
 CID3   Fr= 1--      27.194                  0.084                  4.452
 RC180  Fr= 1--      -0.215                  0.351                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.01  -0.01     0.03  -0.01   0.01
     2   6    -0.02  -0.01   0.00    -0.02   0.02  -0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00   0.00    -0.03  -0.01   0.02    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.02     0.01  -0.01   0.03    -0.00   0.02  -0.01
     5   6     0.00   0.00  -0.01     0.04  -0.01   0.01     0.02  -0.00  -0.00
     6   6     0.01   0.00  -0.00     0.00   0.00  -0.01    -0.03  -0.00   0.01
     7   6     0.10   0.03   0.02     0.04   0.04  -0.01    -0.00  -0.00  -0.00
     8   6    -0.14   0.08  -0.02    -0.03  -0.11   0.01     0.00   0.00   0.00
     9   6     0.04   0.01  -0.03     0.00   0.02   0.03    -0.00   0.00  -0.00
    10   6     0.01  -0.02   0.04     0.01   0.03  -0.00    -0.00  -0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.01  -0.01     0.02  -0.17  -0.02
    12   6     0.00   0.00   0.00     0.00   0.01   0.01    -0.04   0.18   0.11
    13   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.03
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.06  -0.01
    15   1     0.07  -0.02   0.02     0.20  -0.05   0.07    -0.12   0.03  -0.05
    16   1     0.05   0.00  -0.03     0.22   0.03  -0.15    -0.02   0.01   0.01
    17   1    -0.01   0.01  -0.01    -0.23   0.06  -0.09     0.02   0.03   0.00
    18   1    -0.03  -0.02   0.02    -0.19  -0.03   0.12     0.08   0.02  -0.07
    19   1    -0.24  -0.18  -0.07    -0.32  -0.29  -0.11     0.02   0.02   0.00
    20   1    -0.36  -0.23  -0.15     0.14   0.07  -0.02    -0.01  -0.00   0.01
    21   1     0.60  -0.34   0.15     0.16   0.62   0.09    -0.02  -0.02  -0.01
    22   1     0.02  -0.19   0.10    -0.01   0.03  -0.09    -0.00  -0.01   0.00
    23   1    -0.08  -0.08  -0.06    -0.05  -0.05   0.01     0.00  -0.01  -0.00
    24   1    -0.03  -0.09   0.17    -0.03   0.08  -0.04     0.01  -0.01   0.01
    25   1    -0.04   0.06   0.02    -0.05  -0.11  -0.02     0.01   0.00   0.00
    26   1     0.12  -0.03  -0.06    -0.06  -0.02  -0.03     0.01   0.00   0.00
    27   1     0.07   0.04  -0.11     0.01  -0.03   0.07     0.00  -0.00  -0.00
    28   1     0.07   0.02   0.02     0.18   0.06   0.05    -0.09   0.74   0.17
    29   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.01   0.06  -0.02
    30   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.07  -0.17  -0.41
    31   1     0.00   0.00   0.01     0.02   0.01   0.04     0.03  -0.17   0.10
    32   1    -0.00   0.00   0.01    -0.01   0.01   0.05    -0.06   0.03   0.01
    33   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01     0.03  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.6256              1416.0924              1423.3031
 Red. masses --      1.2575                 1.2211                 1.2351
 Frc consts  --      1.4597                 1.4427                 1.4741
 IR Inten    --      5.7652                11.3766                 6.4359
 RamAct Fr= 1--      0.1057                 1.3307                 1.3804
  Dep-P Fr= 1--      0.4441                 0.5634                 0.5094
  Dep-U Fr= 1--      0.6150                 0.7207                 0.6750
 Alpha2 Fr= 1--      0.0007                 0.0047                 0.0065
 Beta2  Fr= 1--      0.0108                 0.1598                 0.1553
 AlphaG Fr= 1--      0.0029                 0.0042                 0.0045
 Gamma2 Fr= 1--     -0.0800                -0.1183                 0.0340
 Delta2 Fr= 1--     -0.0280                 0.1053                -0.1403
 Raman1 Fr= 1--       0.423                  5.323                  5.522
 ROA1   Fr= 1--      -8.576                 -7.990                 -1.224
 CID1   Fr= 1--     -20.279                 -1.501                 -0.222
 Raman2 Fr= 1--       0.130                  1.918                  1.864
 ROA2   Fr= 1--      -1.695                 -3.682                  1.938
 CID2   Fr= 1--     -13.036                 -1.920                  1.040
 Raman3 Fr= 1--       0.260                  3.836                  3.727
 ROA3   Fr= 1--      -8.576                 -7.990                 -1.224
 CID3   Fr= 1--     -32.972                 -2.083                 -0.328
 RC180  Fr= 1--       0.230                  0.441                  0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.09  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02   0.00     0.00  -0.00   0.00    -0.09   0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.01  -0.00   0.00    -0.05   0.01  -0.02    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.03  -0.01   0.01     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.02   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.02   0.01   0.00    -0.07   0.00  -0.01
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.00    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.02  -0.00
    22   1    -0.07  -0.33   0.15     0.00   0.00  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34  -0.00    -0.00   0.01   0.00    -0.14   0.40   0.03
    24   1     0.21  -0.23   0.19    -0.00   0.00  -0.00    -0.19   0.26  -0.27
    25   1     0.41  -0.10   0.14     0.00   0.00   0.00     0.37  -0.02   0.14
    26   1     0.39   0.11  -0.11    -0.00  -0.00   0.00     0.35   0.09  -0.10
    27   1     0.35  -0.21  -0.09    -0.00   0.00  -0.00     0.31  -0.15  -0.15
    28   1     0.01  -0.01  -0.00    -0.02   0.05   0.01     0.00   0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00     0.05   0.38   0.37    -0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00     0.35   0.17   0.44    -0.00  -0.00  -0.00
    33   1     0.00   0.01   0.00     0.30   0.48   0.12    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1284              1485.6355              1490.3193
 Red. masses --      2.4823                 1.0759                 1.0465
 Frc consts  --      3.1181                 1.3990                 1.3695
 IR Inten    --      8.3591                 0.4670                 1.7558
 RamAct Fr= 1--      0.6157                 1.5821                 9.9473
  Dep-P Fr= 1--      0.7148                 0.6360                 0.7208
  Dep-U Fr= 1--      0.8337                 0.7775                 0.8377
 Alpha2 Fr= 1--      0.0004                 0.0033                 0.0050
 Beta2  Fr= 1--      0.0855                 0.2050                 1.3888
 AlphaG Fr= 1--      0.0072                 0.0353                -0.0093
 Gamma2 Fr= 1--     -3.0881                 1.0910                 2.5651
 Delta2 Fr= 1--      1.1996                -0.4294                -0.2603
 Raman1 Fr= 1--       2.463                  6.328                 39.789
 ROA1   Fr= 1--    -258.072                 90.991                237.919
 CID1   Fr= 1--    -104.789                 14.378                  5.979
 Raman2 Fr= 1--       1.027                  2.460                 16.666
 ROA2   Fr= 1--     -83.712                 29.618                 63.644
 CID2   Fr= 1--     -81.545                 12.039                  3.819
 Raman3 Fr= 1--       2.053                  4.920                 33.332
 ROA3   Fr= 1--    -258.072                 90.991                237.919
 CID3   Fr= 1--    -125.696                 18.493                  7.138
 RC180  Fr= 1--       0.667                  0.555                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04     0.05  -0.03  -0.03     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00    -0.01   0.01   0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.03  -0.01  -0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00     0.01   0.03   0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1    -0.29   0.11  -0.22     0.02  -0.00   0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.31    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.23     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02    -0.25   0.38  -0.07    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09    -0.19   0.06   0.40    -0.08   0.03   0.18
    21   1    -0.01  -0.03  -0.01     0.03   0.01   0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03    -0.01  -0.13   0.20    -0.08  -0.25  -0.35
    23   1    -0.01   0.01  -0.00     0.32   0.15   0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.01     0.11   0.07  -0.24     0.32  -0.12  -0.12
    25   1     0.02   0.04   0.01    -0.02  -0.40  -0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00     0.10  -0.08  -0.28     0.13   0.23   0.43
    27   1    -0.01   0.03  -0.05    -0.18   0.04   0.17     0.16  -0.29   0.25
    28   1     0.35  -0.07   0.02    -0.01   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.01   0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07     0.00  -0.00   0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    33   1    -0.09   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1482              1497.7682              1498.7956
 Red. masses --      1.0467                 1.0755                 1.0551
 Frc consts  --      1.3731                 1.4215                 1.3965
 IR Inten    --      4.6917                 2.3269                 9.5376
 RamAct Fr= 1--      5.0953                 3.5371                 4.9581
  Dep-P Fr= 1--      0.6008                 0.7222                 0.6355
  Dep-U Fr= 1--      0.7506                 0.8387                 0.7771
 Alpha2 Fr= 1--      0.0141                 0.0017                 0.0103
 Beta2  Fr= 1--      0.6374                 0.4944                 0.6422
 AlphaG Fr= 1--      0.0096                 0.0025                 0.0663
 Gamma2 Fr= 1--     -0.4691                 0.6079                 0.4367
 Delta2 Fr= 1--     -1.1723                -1.1338                 1.8413
 Raman1 Fr= 1--      20.381                 14.148                 19.832
 ROA1   Fr= 1--     -82.543                 22.076                100.849
 CID1   Fr= 1--      -4.050                  1.560                  5.085
 Raman2 Fr= 1--       7.649                  5.933                  7.706
 ROA2   Fr= 1--      -1.879                 23.660                 -4.249
 CID2   Fr= 1--      -0.246                  3.988                 -0.551
 Raman3 Fr= 1--      15.299                 11.867                 15.412
 ROA3   Fr= 1--     -82.543                 22.076                100.849
 CID3   Fr= 1--      -5.395                  1.860                  6.543
 RC180  Fr= 1--       0.501                  0.677                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.04  -0.03  -0.03    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.00  -0.01     0.00   0.00   0.00    -0.02   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.01     0.03  -0.00   0.02    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.24   0.38  -0.07     0.04  -0.05   0.01
    20   1     0.00  -0.00  -0.00    -0.14   0.10   0.43     0.01  -0.01  -0.05
    21   1     0.00  -0.00   0.00    -0.05   0.07  -0.00     0.01  -0.01   0.00
    22   1    -0.00  -0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.02   0.02
    23   1     0.00   0.01   0.00    -0.31  -0.21  -0.09     0.04   0.03   0.01
    24   1     0.01  -0.00  -0.01    -0.12  -0.09   0.29     0.02   0.01  -0.04
    25   1    -0.00  -0.00  -0.00     0.16   0.24   0.06    -0.02  -0.02  -0.01
    26   1     0.00   0.00   0.00    -0.20  -0.09  -0.02     0.02   0.01   0.01
    27   1     0.00  -0.01   0.01     0.04   0.16  -0.30    -0.00  -0.02   0.03
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.01  -0.03    -0.00   0.00  -0.00    -0.03   0.03  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.00  -0.47  -0.10     0.01  -0.05   0.07     0.08  -0.33   0.56
    32   1    -0.47  -0.08   0.51    -0.05  -0.02  -0.02    -0.31  -0.12  -0.20
    33   1    -0.18   0.48   0.06     0.08  -0.01   0.01     0.61  -0.10   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4930              1511.5411              1551.6388
 Red. masses --      1.0527                 1.0509                 2.4468
 Frc consts  --      1.4039                 1.4147                 3.4708
 IR Inten    --      4.7131                12.5894                26.1709
 RamAct Fr= 1--      6.7473                 1.1957                 0.2142
  Dep-P Fr= 1--      0.7408                 0.5044                 0.5375
  Dep-U Fr= 1--      0.8511                 0.6706                 0.6992
 Alpha2 Fr= 1--      0.0011                 0.0058                 0.0009
 Beta2  Fr= 1--      0.9571                 0.1336                 0.0250
 AlphaG Fr= 1--      0.0085                -0.0031                 0.0097
 Gamma2 Fr= 1--     -0.6271                -1.4987                 0.3254
 Delta2 Fr= 1--      0.1948                -0.3413                 0.0287
 Raman1 Fr= 1--      26.989                  4.783                  0.857
 ROA1   Fr= 1--     -53.968               -154.796                 32.153
 CID1   Fr= 1--      -2.000                -32.366                 37.527
 Raman2 Fr= 1--      11.486                  1.604                  0.300
 ROA2   Fr= 1--     -16.609                -33.238                  7.580
 CID2   Fr= 1--      -1.446                -20.728                 25.305
 Raman3 Fr= 1--      22.971                  3.207                  0.599
 ROA3   Fr= 1--     -53.968               -154.796                 32.153
 CID3   Fr= 1--      -2.349                -48.267                 53.671
 RC180  Fr= 1--       0.702                  0.341                  0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00  -0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.01   0.01  -0.00    -0.01  -0.00  -0.01     0.43  -0.08   0.10
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.24
    17   1    -0.00   0.00  -0.01    -0.01   0.00  -0.00     0.43  -0.08   0.10
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.22
    19   1     0.02   0.05   0.00    -0.06   0.12  -0.01    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.02    -0.06   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.06   0.28  -0.07     0.08   0.21   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.05     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.35    -0.33   0.19   0.01    -0.02   0.01   0.00
    25   1    -0.20  -0.40  -0.08    -0.15   0.30  -0.05    -0.01   0.01  -0.00
    26   1     0.30   0.09  -0.06     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.19   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.05   0.01  -0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.04  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.1596              1658.1202              1805.9255
 Red. masses --      6.0232                 5.7989                 9.5438
 Frc consts  --      9.2922                 9.3935                18.3389
 IR Inten    --      0.0137                 0.9588               273.1766
 RamAct Fr= 1--      1.3574               142.0373                17.1244
  Dep-P Fr= 1--      0.6643                 0.4738                 0.1702
  Dep-U Fr= 1--      0.7983                 0.6430                 0.2909
 Alpha2 Fr= 1--      0.0021                 0.7886                 0.2514
 Beta2  Fr= 1--      0.1806                15.2216                 0.8302
 AlphaG Fr= 1--     -0.0433                -0.0756                -0.5862
 Gamma2 Fr= 1--      0.1482                -0.2321                -2.1101
 Delta2 Fr= 1--     -0.1303                -0.6837                 0.8384
 Raman1 Fr= 1--       5.430                568.149                 68.497
 ROA1   Fr= 1--      10.061                -44.164               -175.739
 CID1   Fr= 1--       1.853                 -0.078                 -2.566
 Raman2 Fr= 1--       2.167                182.659                  9.962
 ROA2   Fr= 1--       4.600                 -0.101                -57.349
 CID2   Fr= 1--       2.123                 -0.001                 -5.757
 Raman3 Fr= 1--       4.334                365.318                 19.924
 ROA3   Fr= 1--      10.061                -44.164               -175.739
 CID3   Fr= 1--       2.321                 -0.121                 -8.821
 RC180  Fr= 1--       0.597                  0.286                 -0.418
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.08   0.18     0.30  -0.04   0.04    -0.01   0.00  -0.00
     2   6    -0.04   0.12  -0.32    -0.21   0.01   0.02     0.00  -0.00   0.00
     3   6     0.08   0.07  -0.21    -0.27  -0.01   0.11     0.01  -0.00   0.00
     4   6     0.04  -0.12   0.33     0.19  -0.01  -0.02    -0.02   0.00  -0.00
     5   6    -0.11   0.08  -0.18    -0.29   0.04  -0.04     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.28   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.01  -0.01   0.04     0.03  -0.00  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.01   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.31   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.17  -0.38
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.30   0.02   0.03    -0.31   0.10  -0.19     0.02  -0.00   0.00
    16   1    -0.32   0.01   0.06     0.26   0.07  -0.28     0.02  -0.02  -0.01
    17   1     0.29  -0.02  -0.04     0.29  -0.10   0.18    -0.02   0.01  -0.01
    18   1     0.30  -0.01  -0.05    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.24  -0.01  -0.03     0.01   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.16   0.04  -0.00     0.03   0.01   0.01     0.00   0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    23   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1     0.01  -0.00  -0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    25   1     0.01   0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.02  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00   0.01  -0.02    -0.01   0.00   0.00     0.00  -0.00  -0.00
    28   1     0.28  -0.04   0.01    -0.02   0.01   0.00    -0.11   0.20  -0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.00     0.09   0.16   0.43
    31   1     0.00  -0.02   0.01     0.00   0.02   0.02     0.02  -0.03   0.01
    32   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00   0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.0980              3018.6726              3020.6560
 Red. masses --      1.0813                 1.0501                 1.0406
 Frc consts  --      5.7455                 5.6378                 5.5941
 IR Inten    --      3.8294                 8.6114                43.1538
 RamAct Fr= 1--    144.7348                14.0883                35.3980
  Dep-P Fr= 1--      0.1739                 0.6597                 0.2569
  Dep-U Fr= 1--      0.2963                 0.7949                 0.4088
 Alpha2 Fr= 1--      2.1047                 0.0227                 0.4115
 Beta2  Fr= 1--      7.1463                 1.8665                 2.4117
 AlphaG Fr= 1--      1.2646                 0.0718                -0.2371
 Gamma2 Fr= 1--     10.9208                -4.4990                 1.0204
 Delta2 Fr= 1--      6.2465                -1.9743                -3.6877
 Raman1 Fr= 1--     578.939                 56.353                141.592
 ROA1   Fr= 1--    1248.286               -495.085                -20.048
 CID1   Fr= 1--       2.156                 -8.785                 -0.142
 Raman2 Fr= 1--      85.755                 22.398                 28.940
 ROA2   Fr= 1--     212.128                -92.182                 53.992
 CID2   Fr= 1--       2.474                 -4.116                  1.866
 Raman3 Fr= 1--     171.511                 44.797                 57.880
 ROA3   Fr= 1--    1248.286               -495.085                -20.048
 CID3   Fr= 1--       7.278                -11.052                 -0.346
 RC180  Fr= 1--      -0.407                  0.590                 -0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.08     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.05   0.01  -0.23    -0.11  -0.03   0.52     0.06   0.01  -0.28
    20   1     0.00  -0.01   0.01    -0.19   0.48  -0.21     0.10  -0.24   0.11
    21   1    -0.23  -0.03   0.91    -0.02  -0.00   0.09     0.00   0.00  -0.01
    22   1    -0.00   0.00   0.00    -0.02   0.00   0.00     0.28  -0.03  -0.04
    23   1     0.04   0.01  -0.17     0.01   0.00  -0.06    -0.12  -0.03   0.53
    24   1    -0.01  -0.00  -0.00     0.01   0.01   0.01    -0.17  -0.25  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.42     0.11   0.01  -0.38
    26   1    -0.01   0.04  -0.01     0.08  -0.29   0.13     0.08  -0.27   0.12
    27   1    -0.02  -0.03  -0.02     0.14   0.22   0.15     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9855              3047.2654              3056.5326
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0735
 IR Inten    --     47.1351                25.5373                15.4116
 RamAct Fr= 1--    453.7822               239.9963                30.8460
  Dep-P Fr= 1--      0.0103                 0.0638                 0.7197
  Dep-U Fr= 1--      0.0203                 0.1199                 0.8370
 Alpha2 Fr= 1--      9.8448                 4.5872                 0.0161
 Beta2  Fr= 1--      1.5380                 4.7961                 4.3031
 AlphaG Fr= 1--     -1.2140                -0.3649                -0.1763
 Gamma2 Fr= 1--     -2.0783                 0.8729                -0.5470
 Delta2 Fr= 1--     -0.1532                 3.9726                 1.8970
 Raman1 Fr= 1--    1815.129                959.985                123.384
 ROA1   Fr= 1--    -204.420                210.915                  8.197
 CID1   Fr= 1--      -0.113                  0.220                  0.066
 Raman2 Fr= 1--      18.456                 57.553                 51.637
 ROA2   Fr= 1--     -48.653                -10.832                -28.303
 CID2   Fr= 1--      -2.636                 -0.188                 -0.548
 Raman3 Fr= 1--      36.912                115.106                103.275
 ROA3   Fr= 1--    -204.420                210.915                  8.197
 CID3   Fr= 1--      -5.538                  1.832                  0.079
 RC180  Fr= 1--      -0.959                 -0.760                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.05  -0.01   0.26    -0.00  -0.00   0.00    -0.16  -0.01   0.68
    20   1    -0.13   0.31  -0.13    -0.00   0.00  -0.00     0.24  -0.58   0.23
    21   1    -0.04  -0.01   0.17    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.30  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.01  -0.00
    23   1    -0.11  -0.03   0.50    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.18  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.09  -0.01   0.32    -0.00  -0.00   0.00     0.03   0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.04
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.66  -0.03  -0.13     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.20   0.53  -0.10    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.08  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4312              3077.9775              3084.3799
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0211                 6.1374                 6.1623
 IR Inten    --      6.7513                10.5037                55.5737
 RamAct Fr= 1--     69.7102                23.9389               113.3090
  Dep-P Fr= 1--      0.1748                 0.7417                 0.4473
  Dep-U Fr= 1--      0.2976                 0.8517                 0.6181
 Alpha2 Fr= 1--      1.0113                 0.0034                 0.7022
 Beta2  Fr= 1--      3.4576                 3.3982                11.6726
 AlphaG Fr= 1--     -0.0822                -0.0220                -1.4829
 Gamma2 Fr= 1--     -0.5408               -10.2612                 6.1296
 Delta2 Fr= 1--     -3.3852                 3.4642               -13.8069
 Raman1 Fr= 1--     278.841                 95.756                453.236
 ROA1   Fr= 1--    -160.247               -874.221                146.621
 CID1   Fr= 1--      -0.575                 -9.130                  0.323
 Raman2 Fr= 1--      41.492                 40.778                140.072
 ROA2   Fr= 1--      14.102               -273.983                257.566
 CID2   Fr= 1--       0.340                 -6.719                  1.839
 Raman3 Fr= 1--      82.983                 81.556                280.143
 ROA3   Fr= 1--    -160.247               -874.221                146.621
 CID3   Fr= 1--      -1.931                -10.719                  0.523
 RC180  Fr= 1--      -0.405                  0.703                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.02
     9   6     0.00   0.00   0.00    -0.00   0.03   0.05     0.00   0.03   0.06
    10   6    -0.00   0.00   0.00    -0.01   0.01  -0.07     0.00  -0.03   0.05
    11   6     0.01   0.02  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.02  -0.00  -0.11
    20   1     0.00   0.00  -0.00     0.01  -0.03   0.01    -0.03   0.09  -0.03
    21   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.05   0.01  -0.19
    22   1     0.00  -0.00   0.00     0.17  -0.02  -0.00     0.15  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.09   0.03  -0.37     0.10   0.04  -0.43
    24   1    -0.00  -0.00  -0.00    -0.24  -0.36  -0.23    -0.26  -0.39  -0.25
    25   1     0.00   0.00  -0.00    -0.16  -0.01   0.53     0.12   0.00  -0.41
    26   1     0.00  -0.00   0.00     0.10  -0.33   0.13    -0.13   0.43  -0.18
    27   1    -0.00  -0.00  -0.00     0.18   0.27   0.16    -0.04  -0.06  -0.02
    28   1    -0.18  -0.22   0.94     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.04  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.03   0.04  -0.15    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.8929              3103.8650              3110.9439
 Red. masses --      1.1013                 1.1002                 1.1023
 Frc consts  --      6.1952                 6.2450                 6.2854
 IR Inten    --     42.8225                32.7264                27.0852
 RamAct Fr= 1--    124.1651                50.4629               107.7954
  Dep-P Fr= 1--      0.6555                 0.6994                 0.6831
  Dep-U Fr= 1--      0.7919                 0.8231                 0.8117
 Alpha2 Fr= 1--      0.2099                 0.0446                 0.1270
 Beta2  Fr= 1--     16.3886                 6.9225                14.5830
 AlphaG Fr= 1--     -0.3018                -0.1389                 0.0928
 Gamma2 Fr= 1--      2.0824                -9.1278                 0.0489
 Delta2 Fr= 1--      7.9192                -0.1549                -5.2343
 Raman1 Fr= 1--     496.660                201.852                431.181
 ROA1   Fr= 1--     453.326               -881.224               -162.806
 CID1   Fr= 1--       0.913                 -4.366                 -0.378
 Raman2 Fr= 1--     196.663                 83.070                174.996
 ROA2   Fr= 1--     -13.376               -217.828                 43.048
 CID2   Fr= 1--      -0.068                 -2.622                  0.246
 Raman3 Fr= 1--     393.325                166.141                349.992
 ROA3   Fr= 1--     453.326               -881.224               -162.806
 CID3   Fr= 1--       1.153                 -5.304                 -0.465
 RC180  Fr= 1--       0.584                  0.646                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00     0.00   0.00   0.00
    10   6    -0.02  -0.09  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00  -0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.13  -0.09    -0.01   0.00   0.00
    23   1    -0.03  -0.01   0.13     0.02   0.01  -0.17    -0.00   0.00   0.00
    24   1     0.08   0.11   0.07     0.20   0.32   0.22    -0.00  -0.00  -0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.16   0.49  -0.23    -0.01   0.02  -0.01     0.00  -0.00   0.00
    27   1     0.38   0.56   0.38     0.02   0.02   0.02    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.01  -0.13
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.22  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8176              3157.0589              3164.7686
 Red. masses --      1.1014                 1.0866                 1.0875
 Frc consts  --      6.3566                 6.3812                 6.4173
 IR Inten    --     12.7379                11.7241                10.9165
 RamAct Fr= 1--     27.9474                55.9442                52.6114
  Dep-P Fr= 1--      0.6798                 0.6935                 0.5922
  Dep-U Fr= 1--      0.8094                 0.8190                 0.7439
 Alpha2 Fr= 1--      0.0346                 0.0553                 0.1545
 Beta2  Fr= 1--      3.7701                 7.6364                 6.5226
 AlphaG Fr= 1--      0.0713                 0.0786                -0.1043
 Gamma2 Fr= 1--     -1.1868                -0.4729                -1.8369
 Delta2 Fr= 1--      2.3617                -1.0133                 1.9926
 Raman1 Fr= 1--     111.789                223.777                210.446
 ROA1   Fr= 1--     -38.363                -77.825               -112.584
 CID1   Fr= 1--      -0.343                 -0.348                 -0.535
 Raman2 Fr= 1--      45.242                 91.637                 78.271
 ROA2   Fr= 1--     -47.378                 -3.244                -60.027
 CID2   Fr= 1--      -1.047                 -0.035                 -0.767
 Raman3 Fr= 1--      90.483                183.274                156.542
 ROA3   Fr= 1--     -38.363                -77.825               -112.584
 CID3   Fr= 1--      -0.424                 -0.425                 -0.719
 RC180  Fr= 1--       0.619                  0.638                  0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.01   0.03
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01     0.01   0.01  -0.02    -0.35  -0.24   0.78
    16   1    -0.02   0.01  -0.03     0.02  -0.01   0.02    -0.26   0.15  -0.34
    17   1     0.01   0.01  -0.02     0.23   0.16  -0.52    -0.01  -0.01   0.03
    18   1     0.00  -0.00   0.00     0.46  -0.26   0.60     0.04  -0.02   0.05
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.03  -0.03   0.15     0.01   0.00  -0.02    -0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    32   1     0.16  -0.42   0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82     0.00   0.00  -0.01     0.00   0.01  -0.02
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9148              3184.4944              3723.4207
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4951                 6.5331                 8.6906
 IR Inten    --     16.5349                 3.8802                62.9100
 RamAct Fr= 1--    129.3711               127.7449               147.7692
  Dep-P Fr= 1--      0.1429                 0.1206                 0.2410
  Dep-U Fr= 1--      0.2501                 0.2153                 0.3884
 Alpha2 Fr= 1--      2.0360                 2.1257                 1.7959
 Beta2  Fr= 1--      5.3928                 4.5840                 9.5651
 AlphaG Fr= 1--      0.0988                -0.3964                -0.2996
 Gamma2 Fr= 1--      1.5458                 0.1386                -6.0619
 Delta2 Fr= 1--      0.9494                -1.4174                -0.1414
 Raman1 Fr= 1--     517.484                510.980                591.077
 ROA1   Fr= 1--     178.779                -32.056               -586.463
 CID1   Fr= 1--       0.345                 -0.063                 -0.992
 Raman2 Fr= 1--      64.713                 55.008                114.781
 ROA2   Fr= 1--      29.504                 14.665               -144.354
 CID2   Fr= 1--       0.456                  0.267                 -1.258
 Raman3 Fr= 1--     129.426                110.016                229.562
 ROA3   Fr= 1--     178.779                -32.056               -586.463
 CID3   Fr= 1--       1.381                 -0.291                 -2.555
 RC180  Fr= 1--      -0.500                 -0.569                 -0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.00  -0.01    -0.05   0.03  -0.06     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.03   0.02  -0.04     0.00  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1     0.00   0.00  -0.01    -0.18  -0.13   0.40    -0.00  -0.00   0.00
    16   1     0.07  -0.04   0.09     0.51  -0.29   0.65     0.00   0.00  -0.00
    17   1    -0.32  -0.22   0.70     0.03   0.02  -0.07     0.00   0.00  -0.00
    18   1     0.34  -0.19   0.43    -0.04   0.02  -0.06    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.00   0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.28   0.93  -0.23
    31   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.03    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1336.314586890.985537245.92905
           X            0.99985   0.01732   0.00018
           Y           -0.01732   0.99979  -0.01114
           Z           -0.00038   0.01113   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06482     0.01257     0.01195
 Rotational constants (GHZ):           1.35054     0.26190     0.24907
 Zero-point vibrational energy     746012.6 (Joules/Mol)
                                  178.30130 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.85    52.57    65.71    77.72    97.13
          (Kelvin)            155.90   230.59   284.90   321.33   329.89
                              359.75   367.12   429.12   462.77   501.58
                              556.61   590.95   603.62   611.34   650.61
                              793.31   814.56   891.06   925.04   957.77
                             1036.70  1085.12  1160.12  1184.05  1205.99
                             1227.86  1235.87  1256.84  1290.77  1347.14
                             1373.67  1382.09  1398.82  1408.16  1460.05
                             1505.17  1559.54  1578.54  1593.11  1638.17
                             1651.98  1671.17  1717.80  1743.55  1758.01
                             1778.77  1796.66  1842.29  1884.14  1897.49
                             1941.54  1961.71  1974.43  1977.94  2003.54
                             2019.50  2037.44  2047.82  2100.80  2137.50
                             2144.24  2146.87  2154.95  2156.43  2164.63
                             2174.77  2232.46  2328.17  2385.67  2598.32
                             4320.79  4343.20  4346.05  4355.16  4384.34
                             4397.67  4417.67  4428.52  4437.73  4445.67
                             4465.77  4475.95  4503.11  4542.30  4553.40
                             4567.99  4581.78  5357.17
 
 Zero-point correction=                           0.284141 (Hartree/Particle)
 Thermal correction to Energy=                    0.299830
 Thermal correction to Enthalpy=                  0.300775
 Thermal correction to Gibbs Free Energy=         0.239420
 Sum of electronic and zero-point Energies=           -656.740223
 Sum of electronic and thermal Energies=              -656.724534
 Sum of electronic and thermal Enthalpies=            -656.723590
 Sum of electronic and thermal Free Energies=         -656.784944
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.146             58.737            129.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.567
 Vibrational            186.369             52.776             54.690
 Vibration     1          0.593              1.985              6.198
 Vibration     2          0.594              1.982              5.439
 Vibration     3          0.595              1.979              4.997
 Vibration     4          0.596              1.976              4.665
 Vibration     5          0.598              1.970              4.225
 Vibration     6          0.606              1.943              3.298
 Vibration     7          0.622              1.891              2.547
 Vibration     8          0.637              1.843              2.151
 Vibration     9          0.649              1.806              1.932
 Vibration    10          0.652              1.796              1.885
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.666              1.754              1.695
 Vibration    13          0.691              1.677              1.427
 Vibration    14          0.707              1.632              1.302
 Vibration    15          0.726              1.578              1.172
 Vibration    16          0.755              1.498              1.012
 Vibration    17          0.775              1.447              0.924
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.787              1.416              0.875
 Vibration    20          0.811              1.356              0.789
 Vibration    21          0.907              1.137              0.541
 Vibration    22          0.922              1.104              0.512
 Vibration    23          0.979              0.991              0.418
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.749076-110       -110.125474       -253.573275
 Total V=0       0.371788D+21         20.570295         47.364854
 Vib (Bot)       0.220227-124       -124.657130       -287.033648
 Vib (Bot)    1  0.831238D+01          0.919725          2.117746
 Vib (Bot)    2  0.566450D+01          0.753162          1.734219
 Vib (Bot)    3  0.452854D+01          0.655958          1.510399
 Vib (Bot)    4  0.382557D+01          0.582696          1.341707
 Vib (Bot)    5  0.305595D+01          0.485146          1.117091
 Vib (Bot)    6  0.189080D+01          0.276646          0.637000
 Vib (Bot)    7  0.126132D+01          0.100826          0.232160
 Vib (Bot)    8  0.100772D+01          0.003341          0.007694
 Vib (Bot)    9  0.884431D+00         -0.053336         -0.122811
 Vib (Bot)   10  0.859278D+00         -0.065866         -0.151663
 Vib (Bot)   11  0.780544D+00         -0.107603         -0.247765
 Vib (Bot)   12  0.763002D+00         -0.117474         -0.270494
 Vib (Bot)   13  0.638261D+00         -0.195002         -0.449008
 Vib (Bot)   14  0.583879D+00         -0.233677         -0.538062
 Vib (Bot)   15  0.529704D+00         -0.275967         -0.635437
 Vib (Bot)   16  0.465106D+00         -0.332448         -0.765490
 Vib (Bot)   17  0.430513D+00         -0.366014         -0.842779
 Vib (Bot)   18  0.418679D+00         -0.378119         -0.870652
 Vib (Bot)   19  0.411692D+00         -0.385428         -0.887480
 Vib (Bot)   20  0.378557D+00         -0.421869         -0.971389
 Vib (Bot)   21  0.284239D+00         -0.546316         -1.257940
 Vib (Bot)   22  0.272882D+00         -0.564024         -1.298714
 Vib (Bot)   23  0.236300D+00         -0.626536         -1.442653
 Vib (V=0)       0.109305D+07          6.038639         13.904481
 Vib (V=0)    1  0.882740D+01          0.945833          2.177861
 Vib (V=0)    2  0.618653D+01          0.791447          1.822374
 Vib (V=0)    3  0.505606D+01          0.703812          1.620587
 Vib (V=0)    4  0.435810D+01          0.639298          1.472037
 Vib (V=0)    5  0.359659D+01          0.555890          1.279985
 Vib (V=0)    6  0.245579D+01          0.390192          0.898450
 Vib (V=0)    7  0.185681D+01          0.268767          0.618859
 Vib (V=0)    8  0.162495D+01          0.210839          0.485475
 Vib (V=0)    9  0.151598D+01          0.180694          0.416063
 Vib (V=0)   10  0.149416D+01          0.174398          0.401566
 Vib (V=0)   11  0.142696D+01          0.154411          0.355544
 Vib (V=0)   12  0.141223D+01          0.149907          0.345174
 Vib (V=0)   13  0.131079D+01          0.117532          0.270629
 Vib (V=0)   14  0.126871D+01          0.103362          0.238000
 Vib (V=0)   15  0.122841D+01          0.089345          0.205723
 Vib (V=0)   16  0.118288D+01          0.072940          0.167951
 Vib (V=0)   17  0.115980D+01          0.064385          0.148251
 Vib (V=0)   18  0.115214D+01          0.061507          0.141625
 Vib (V=0)   19  0.114768D+01          0.059821          0.137743
 Vib (V=0)   20  0.112714D+01          0.051978          0.119684
 Vib (V=0)   21  0.107515D+01          0.031467          0.072456
 Vib (V=0)   22  0.106962D+01          0.029229          0.067302
 Vib (V=0)   23  0.105303D+01          0.022439          0.051668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.292407D+07          6.465988         14.888487
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222111     
     2        87653109877542210                           051510999986210977641184321964309841776539755320526416552218429552296065432
     3        45570140480777193                           688224982060364352399009622428977465921567493836416396125017928509380884675
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X               X  XX                     
     X                X                                   X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004035    0.000001323    0.000000104
      2        6           0.000003910    0.000002414   -0.000004065
      3        6           0.000000010    0.000000013   -0.000000316
      4        6          -0.000010760    0.000000438    0.000003151
      5        6           0.000006994   -0.000006001   -0.000000139
      6        6          -0.000005750    0.000000426    0.000002929
      7        6          -0.000004046    0.000011316    0.000007688
      8        6          -0.000001686    0.000002896   -0.000003646
      9        6          -0.000000301   -0.000006542    0.000000877
     10        6          -0.000004305   -0.000003255    0.000000078
     11        6           0.000017363    0.000008199    0.000001644
     12        6          -0.000003287    0.000005996    0.000006641
     13        8          -0.000001001   -0.000002553   -0.000004183
     14        8           0.000001231   -0.000006175   -0.000002322
     15        1          -0.000000147   -0.000000439    0.000000616
     16        1          -0.000000584    0.000000214    0.000000726
     17        1          -0.000000546    0.000001543   -0.000000256
     18        1           0.000000796    0.000000377   -0.000000903
     19        1           0.000001642   -0.000002725   -0.000003513
     20        1           0.000003838   -0.000001836   -0.000001394
     21        1          -0.000001019   -0.000002823    0.000003310
     22        1          -0.000000616    0.000000078   -0.000001528
     23        1          -0.000000904    0.000002569   -0.000001920
     24        1           0.000000360   -0.000001108   -0.000000855
     25        1           0.000002157   -0.000000520   -0.000001388
     26        1           0.000000217    0.000000011   -0.000000797
     27        1          -0.000001587    0.000000464   -0.000002081
     28        1          -0.000003703    0.000001020    0.000002065
     29        6          -0.000001136   -0.000004813   -0.000004708
     30        1          -0.000000067   -0.000001558   -0.000000163
     31        1          -0.000000810    0.000000068    0.000000699
     32        1          -0.000000449    0.000000464    0.000002133
     33        1           0.000000151    0.000000517    0.000001516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017363 RMS     0.000003648
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228113D+03 -0.178319D+01  0.194472D+01
      2  -0.178319D+01  0.143366D+03 -0.721663D+01
      3   0.194472D+01 -0.721663D+01  0.153466D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.811475D+01 -0.839735D+01  0.224711D+02
      2  -0.132875D+00 -0.820306D+01  0.360063D+02
      3  -0.105840D+03 -0.408018D+02  0.138490D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.261264D+03  0.389601D+02 -0.237712D+02
      2  -0.140665D+03 -0.198805D+02  0.429010D+02
      3  -0.120598D+03 -0.190796D+02 -0.191298D+02
      4  -0.383042D+02  0.728317D+02 -0.176760D+02
      5  -0.261457D+02 -0.238929D+02  0.747747D+02
      6  -0.844319D+00  0.231116D+02 -0.342788D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.118625D+02 -0.119985D+00  0.802436D+00  0.584621D+01  0.216812D+01
      2  -0.119985D+00  0.124599D+01  0.510001D-01  0.216812D+01  0.197271D+01
      3   0.802436D+00  0.510001D-01  0.116801D+01 -0.165149D+00 -0.274174D+01
                 6             7             8             9            10 
      1  -0.165149D+00 -0.101766D+02  0.274467D+00 -0.518785D+00  0.325006D+02
      2  -0.274174D+01  0.274467D+00 -0.116949D+01 -0.113689D+01  0.155341D+01
      3  -0.219209D+01 -0.518785D+00 -0.113689D+01 -0.166101D+01 -0.120038D+01
                11            12            13            14            15 
      1   0.155341D+01 -0.120038D+01 -0.533953D+00  0.451441D+01  0.120703D+01
      2   0.193945D+01 -0.778512D+00  0.451441D+01 -0.781242D+00 -0.161165D+00
      3  -0.778512D+00  0.292183D+01  0.120703D+01 -0.161165D+00 -0.816022D+00
                16            17            18            19            20 
      1  -0.414490D+01  0.144465D+01  0.137435D+01  0.852462D+01 -0.102441D-01
      2   0.144465D+01  0.168335D+00 -0.687200D+00 -0.102441D-01 -0.123706D+01
      3   0.137435D+01 -0.687200D+00 -0.618259D+00 -0.784331D+00 -0.381450D+00
                21            22            23            24            25 
      1  -0.784331D+00  0.424406D+01 -0.138750D+01 -0.109453D+01 -0.133626D+02
      2  -0.381450D+00 -0.138750D+01  0.237680D+01 -0.224181D+01 -0.153645D+00
      3  -0.288248D+01 -0.109453D+01 -0.224181D+01 -0.124685D+01  0.670942D+00
                26            27            28            29            30 
      1  -0.153645D+00  0.670942D+00 -0.296148D+02 -0.525530D+00  0.120086D+01
      2  -0.705275D+00 -0.765759D+00 -0.525530D+00 -0.146327D+01  0.297181D+00
      3  -0.765759D+00 -0.158817D+01  0.120086D+01  0.297181D+00 -0.267229D+01
                31            32            33            34            35 
      1   0.225809D+01 -0.502131D+01 -0.133147D+01  0.276818D+01 -0.124779D+01
      2  -0.502131D+01  0.645897D+00  0.379546D+00 -0.124779D+01 -0.163321D+00
      3  -0.133147D+01  0.379546D+00  0.159908D-01 -0.960364D+00 -0.790867D+00
                36            37            38            39            40 
      1  -0.960364D+00  0.132033D+02 -0.458748D+00 -0.845643D+00 -0.362661D+01
      2  -0.790867D+00 -0.458748D+00 -0.220923D+01  0.119223D+01 -0.177825D+01
      3   0.103964D+01 -0.845643D+00  0.119223D+01 -0.186977D+01 -0.242223D+00
                41            42            43            44            45 
      1  -0.177825D+01 -0.242223D+00  0.113480D+02 -0.185897D+01  0.614230D+00
      2  -0.267916D+01  0.249797D+01 -0.185897D+01  0.124354D+01  0.131279D+01
      3   0.249797D+01  0.201759D+01  0.614230D+00  0.131279D+01  0.129444D+01
                46            47            48            49            50 
      1  -0.962745D+01  0.572306D+00  0.471096D+00 -0.291603D+01  0.989376D+00
      2   0.572306D+00  0.165903D+01 -0.606571D+00  0.989376D+00 -0.336219D+01
      3   0.471096D+00 -0.606571D+00  0.310389D+01  0.156747D+01  0.210483D+01
                51            52            53            54            55 
      1   0.156747D+01  0.130246D+02  0.142644D+01 -0.117006D+01 -0.172210D+02
      2   0.210483D+01  0.142644D+01 -0.128001D+00  0.142674D+01 -0.194926D+01
      3   0.117618D+01 -0.117006D+01  0.142674D+01  0.825571D+00 -0.115440D+00
                56            57            58            59            60 
      1  -0.194926D+01 -0.115440D+00 -0.554040D+01 -0.694154D+01 -0.325205D+00
      2  -0.340016D+01 -0.226019D-01 -0.694154D+01  0.285041D+01 -0.155065D+01
      3  -0.226019D-01 -0.141397D+01 -0.325205D+00 -0.155065D+01  0.101822D+00
                61            62            63            64            65 
      1  -0.553921D+01 -0.106365D+01 -0.294973D+01  0.392685D+00  0.289735D+01
      2  -0.106365D+01 -0.282752D+01  0.697349D+00  0.289735D+01  0.368386D+01
      3  -0.294973D+01  0.697349D+00  0.564090D+01 -0.178556D+00  0.357682D+00
                66            67            68            69            70 
      1  -0.178556D+00  0.112249D+02  0.636238D+01  0.642895D+00  0.564514D+01
      2   0.357682D+00  0.636238D+01 -0.169788D+01  0.183803D+01  0.114936D+01
      3   0.245385D+01  0.642895D+00  0.183803D+01  0.572396D+00  0.375998D+01
                71            72            73            74            75 
      1   0.114936D+01  0.375998D+01  0.594401D+01 -0.256226D+01 -0.119084D+01
      2   0.267421D+01  0.641736D+00 -0.256226D+01 -0.336317D+01 -0.758399D+00
      3   0.641736D+00 -0.766935D+01 -0.119084D+01 -0.758399D+00 -0.186934D+01
                76            77            78            79            80 
      1  -0.403174D+01 -0.394649D+01 -0.953538D+00 -0.222123D+01 -0.944801D+00
      2  -0.394649D+01 -0.598858D+00 -0.269705D+01 -0.944801D+00 -0.366828D+01
      3  -0.953538D+00 -0.269705D+01 -0.129642D+01 -0.269772D+01 -0.209753D+01
                81            82            83            84            85 
      1  -0.269772D+01  0.426899D+01 -0.175519D+01 -0.510184D+00 -0.375728D+01
      2  -0.209753D+01 -0.175519D+01 -0.361209D+01 -0.567895D+00 -0.561342D+01
      3   0.553455D+01 -0.510184D+00 -0.567895D+00 -0.295538D+01 -0.867144D+00
                86            87            88            89            90 
      1  -0.561342D+01 -0.867144D+00 -0.186292D+01 -0.914040D+00 -0.459452D+01
      2   0.230251D+01 -0.371947D+01 -0.914040D+00 -0.379757D+01 -0.336362D+00
      3  -0.371947D+01 -0.484902D+00 -0.459452D+01 -0.336362D+00  0.466857D+01
                91            92            93            94            95 
      1   0.583208D+01  0.217357D+01  0.137663D+00 -0.106821D+01  0.572815D+01
      2   0.217357D+01  0.178421D+01  0.959012D+00  0.572815D+01 -0.354338D+01
      3   0.137663D+00  0.959012D+00  0.129697D+01  0.170837D+01 -0.116885D+00
                96            97            98            99           100 
      1   0.170837D+01  0.330130D+01  0.174389D+01  0.174523D+01  0.277284D+01
      2  -0.116885D+00  0.174389D+01  0.165652D+01  0.178985D+01 -0.187398D+01
      3   0.140999D+01  0.174523D+01  0.178985D+01 -0.438569D+01  0.155695D+01
               101           102           103           104           105 
      1  -0.187398D+01  0.155695D+01 -0.124146D+01 -0.109144D+01 -0.121476D+01
      2   0.459547D+00 -0.829584D+00 -0.109144D+01  0.373500D+01 -0.275336D+00
      3  -0.829584D+00  0.480455D+00 -0.121476D+01 -0.275336D+00 -0.207831D+01
               106           107           108           109           110 
      1   0.272266D+01 -0.293467D+01  0.153416D+01 -0.542958D+01  0.209548D+01
      2  -0.293467D+01  0.285193D+01 -0.257071D+01  0.209548D+01 -0.157999D+01
      3   0.153416D+01 -0.257071D+01  0.270526D+01 -0.358041D+01  0.654187D+00
               111           112           113           114           115 
      1  -0.358041D+01  0.294744D+01 -0.226682D+01  0.125592D+01 -0.803938D+01
      2   0.654187D+00 -0.226682D+01  0.241324D+01 -0.204440D+01  0.315992D+01
      3  -0.187994D+01  0.125592D+01 -0.204440D+01  0.219517D+01 -0.329572D+01
               116           117           118           119           120 
      1   0.315992D+01 -0.329572D+01  0.884922D+00  0.763545D-01  0.134090D+01
      2  -0.489342D+01  0.208223D+01  0.763545D-01  0.231789D+01  0.457616D+00
      3   0.208223D+01 -0.748523D+01  0.134090D+01  0.457616D+00  0.236088D+00
               121           122           123           124           125 
      1  -0.135307D+00  0.250984D+01  0.144125D+00  0.355144D+01 -0.113787D+01
      2   0.250984D+01 -0.639702D+01  0.831671D+00 -0.113787D+01  0.259703D+01
      3   0.144125D+00  0.831671D+00  0.323696D+00 -0.126199D+01  0.282373D+01
               126           127           128           129           130 
      1  -0.126199D+01  0.205298D+01  0.614192D+00 -0.196374D+01  0.323057D+00
      2   0.282373D+01  0.614192D+00  0.321983D+00 -0.410327D+00  0.125853D+00
      3   0.490240D+01 -0.196374D+01 -0.410327D+00  0.215752D+01 -0.663862D+00
               131           132           133           134           135 
      1   0.125853D+00 -0.663862D+00 -0.246974D+01 -0.895215D+00  0.264607D+01
      2   0.435733D+00 -0.633833D+00 -0.895215D+00 -0.129798D+01  0.163494D+01
      3  -0.633833D+00  0.220684D+01  0.264607D+01  0.163494D+01 -0.721656D+01
               136           137           138           139           140 
      1  -0.379206D+01  0.102531D+01 -0.184405D+01  0.163185D+01 -0.544436D+00
      2   0.102531D+01 -0.787605D+00  0.575120D+00 -0.544436D+00  0.637861D+00
      3  -0.184405D+01  0.575120D+00 -0.183948D+01  0.110133D+01 -0.611444D+00
               141           142           143           144           145 
      1   0.110133D+01 -0.252402D+01  0.880161D+00 -0.249530D+01 -0.218557D+01
      2  -0.611444D+00  0.880161D+00 -0.128386D+01  0.137382D+01 -0.669140D+00
      3   0.172553D+01 -0.249530D+01  0.137382D+01 -0.453532D+01  0.207926D+01
               146           147           148           149           150 
      1  -0.669140D+00  0.207926D+01 -0.538462D+00 -0.163104D+00  0.740863D+00
      2  -0.412632D+00  0.678824D+00 -0.163104D+00 -0.673036D+00  0.877751D+00
      3   0.678824D+00 -0.227465D+01  0.740863D+00  0.877751D+00 -0.236069D+01
               151           152           153           154           155 
      1   0.224192D+01  0.106078D+01 -0.271294D+01  0.375554D+01 -0.112830D+01
      2   0.106078D+01  0.171605D+01 -0.240202D+01 -0.112830D+01  0.102652D+01
      3  -0.271294D+01 -0.240202D+01  0.749992D+01  0.250052D+01 -0.115496D+01
               156           157           158           159           160 
      1   0.250052D+01 -0.197577D+01  0.760892D+00 -0.140345D+01  0.283212D+01
      2  -0.115496D+01  0.760892D+00 -0.945938D+00  0.936172D+00 -0.126814D+01
      3   0.238015D+01 -0.140345D+01  0.936172D+00 -0.207661D+01  0.290394D+01
               161           162           163           164           165 
      1  -0.126814D+01  0.290394D+01  0.108461D+01 -0.434200D-01 -0.142030D+01
      2   0.175853D+01 -0.213663D+01 -0.434200D-01  0.769860D+00  0.297025D+00
      3  -0.213663D+01  0.509837D+01 -0.142030D+01  0.297025D+00  0.139118D+01
               166           167           168           169           170 
      1   0.177950D+01  0.113923D+01 -0.115791D+00 -0.404209D+01  0.893422D-01
      2   0.113923D+01 -0.403147D+00 -0.653602D+00  0.893422D-01 -0.130684D+01
      3  -0.115791D+00 -0.653602D+00  0.187052D+00  0.240581D+01 -0.121965D+01
               171           172           173           174           175 
      1   0.240581D+01  0.429949D+01 -0.180048D+01  0.606355D+00 -0.443912D+01
      2  -0.121965D+01 -0.180048D+01  0.236530D+01 -0.495344D-01  0.345861D+01
      3  -0.631854D+01  0.606355D+00 -0.495344D-01  0.403348D+00 -0.194914D+00
               176           177           178           179           180 
      1   0.345861D+01 -0.194914D+00  0.511904D+01 -0.454237D+00  0.101715D+01
      2  -0.668699D+01  0.793559D+00 -0.454237D+00  0.208284D+01 -0.104707D+01
      3   0.793559D+00 -0.842367D+00  0.101715D+01 -0.104707D+01  0.273768D+00
               181           182           183           184           185 
      1  -0.836492D+00 -0.814612D+00  0.117746D+01 -0.167539D+01 -0.818024D+00
      2  -0.814612D+00 -0.847929D+00 -0.641985D-01 -0.818024D+00  0.184001D+00
      3   0.117746D+01 -0.641985D-01 -0.974508D+00  0.101409D+00  0.653986D+00
               186           187           188           189           190 
      1   0.101409D+00  0.252506D+01  0.196121D+00 -0.582217D+00 -0.868531D+01
      2   0.653986D+00  0.196121D+00  0.120284D+01 -0.515241D-01  0.575941D+00
      3  -0.536942D-01 -0.582217D+00 -0.515241D-01  0.725607D+01  0.460552D+00
               191           192           193           194           195 
      1   0.575941D+00  0.460552D+00  0.234362D+00 -0.127726D+01  0.634647D-01
      2  -0.251611D+01  0.730541D-01 -0.127726D+01  0.795996D+00  0.317469D+00
      3   0.730541D-01 -0.721934D+00  0.634647D-01  0.317469D+00  0.452499D+00
               196           197           198           199           200 
      1   0.539651D+00 -0.125481D+00 -0.241333D+00  0.375424D+00  0.630434D+00
      2  -0.125481D+00  0.606822D+00  0.610958D+00  0.630434D+00  0.939189D+00
      3  -0.241333D+00  0.610958D+00 -0.284589D+00 -0.938886D+00 -0.290317D+00
               201           202           203           204           205 
      1  -0.938886D+00  0.290181D+00  0.537911D+00 -0.474374D-01 -0.198255D+01
      2  -0.290317D+00  0.537911D+00  0.846691D+00 -0.637088D+00 -0.590517D+00
      3   0.137594D+01 -0.474374D-01 -0.637088D+00  0.531339D+00  0.148969D+01
               206           207           208           209           210 
      1  -0.590517D+00  0.148969D+01  0.244502D+01  0.263788D+01  0.912117D+00
      2  -0.219892D+01  0.197714D+01  0.263788D+01  0.347640D+01  0.751627D+00
      3   0.197714D+01 -0.670902D+01  0.912117D+00  0.751627D+00  0.102335D+01
               211           212           213           214           215 
      1   0.246698D+01  0.330892D+01  0.880573D+00  0.199856D+01  0.156490D+01
      2   0.330892D+01  0.680510D+01  0.188934D+01  0.156490D+01  0.350548D+01
      3   0.880573D+00  0.188934D+01  0.143360D+01  0.125051D+01  0.184744D+01
               216           217           218           219           220 
      1   0.125051D+01  0.204420D+01  0.116839D+00 -0.143067D+01  0.422034D+00
      2   0.184744D+01  0.116839D+00  0.643888D+00  0.629092D-01  0.115332D+01
      3   0.111152D+01 -0.143067D+01  0.629092D-01  0.166297D+01 -0.170617D-01
               221           222           223           224           225 
      1   0.115332D+01 -0.170617D-01 -0.478300D+01  0.106952D+00  0.341116D+01
      2  -0.161149D+00 -0.395565D+00  0.106952D+00 -0.109182D+01 -0.258003D-01
      3  -0.395565D+00  0.151330D+00  0.341116D+01 -0.258003D-01 -0.612456D+01
               226           227           228           229           230 
      1   0.194330D+01 -0.163509D+01  0.802131D+00 -0.426397D+01  0.338960D+01
      2  -0.163509D+01  0.179867D+01 -0.505683D+00  0.338960D+01 -0.583575D+01
      3   0.802131D+00 -0.505683D+00  0.867543D+00 -0.106555D+01  0.192576D+01
               231           232           233           234           235 
      1  -0.106555D+01  0.200934D+01 -0.936887D+00  0.162508D+01  0.492092D+01
      2   0.192576D+01 -0.936887D+00  0.221223D+01 -0.124806D+01  0.239610D+01
      3  -0.162742D+01  0.162508D+01 -0.124806D+01  0.108627D+01  0.171709D+01
               236           237           238           239           240 
      1   0.239610D+01  0.171709D+01  0.591059D+01  0.355716D+01  0.164959D+01
      2   0.202625D+01  0.913986D+00  0.355716D+01  0.340850D+01  0.176675D+01
      3   0.913986D+00  0.142822D+01  0.164959D+01  0.176675D+01  0.169773D+01
               241           242           243           244           245 
      1   0.384041D+01  0.150121D+01  0.248705D+01  0.433612D+00 -0.844672D+00
      2   0.150121D+01  0.204985D+01  0.130005D+01 -0.844672D+00 -0.519951D+00
      3   0.248705D+01  0.130005D+01  0.161056D+01  0.131569D+01  0.761445D-01
               246           247           248           249           250 
      1   0.131569D+01 -0.125387D+01 -0.104692D+01  0.185155D+00  0.288407D+01
      2   0.761445D-01 -0.104692D+01 -0.627014D+00  0.107990D+01  0.256156D+00
      3  -0.113513D+01  0.185155D+00  0.107990D+01 -0.126325D+01 -0.190689D+01
               251           252           253           254           255 
      1   0.256156D+00 -0.190689D+01  0.825218D+01  0.217548D-01 -0.162868D+01
      2   0.163459D+01 -0.114193D+01  0.217548D-01 -0.344917D+01 -0.702970D+00
      3  -0.114193D+01  0.602599D+01 -0.162868D+01 -0.702970D+00 -0.997438D+00
               256           257           258           259           260 
      1  -0.441598D+01 -0.374075D+01 -0.113582D+01 -0.609572D+01 -0.135397D+01
      2  -0.374075D+01  0.384272D+01 -0.130231D+01 -0.135397D+01 -0.240419D+01
      3  -0.113582D+01 -0.130231D+01 -0.171416D+01 -0.144320D+01 -0.124231D+01
               261           262           263           264           265 
      1  -0.144320D+01 -0.119150D+01  0.163918D+01  0.585812D+00  0.191011D+01
      2  -0.124231D+01  0.163918D+01 -0.227084D+01 -0.555947D+00 -0.320446D+01
      3   0.386635D+01  0.585812D+00 -0.555947D+00 -0.509546D+00 -0.661170D+00
               266           267           268           269           270 
      1  -0.320446D+01 -0.661170D+00 -0.283513D+00  0.613315D+00 -0.223523D+00
      2   0.100197D+02  0.201251D+01  0.613315D+00 -0.153441D+01  0.534014D+00
      3   0.201251D+01  0.189036D+01 -0.223523D+00  0.534014D+00  0.526236D+00
               271           272           273           274           275 
      1  -0.152340D+02 -0.234393D+01  0.136693D+00  0.340616D+00 -0.103437D+01
      2  -0.234393D+01 -0.165138D+01 -0.163376D+00 -0.103437D+01 -0.605847D+00
      3   0.136693D+00 -0.163376D+00 -0.114070D+01  0.941502D-01  0.186308D+00
               276           277           278           279           280 
      1   0.941502D-01  0.230210D+01  0.508172D+00 -0.113539D+01  0.139080D+00
      2   0.186308D+00  0.508172D+00  0.667586D+00 -0.779836D-01 -0.722947D+00
      3   0.211248D+00 -0.113539D+01 -0.779836D-01  0.748086D-02  0.307663D+00
               281           282           283           284           285 
      1  -0.722947D+00  0.307663D+00 -0.162112D+01 -0.178843D+00 -0.384871D-01
      2   0.236887D+01  0.232453D+00 -0.178843D+00 -0.844459D+01  0.100935D-01
      3   0.232453D+00  0.450251D+00 -0.384871D-01  0.100935D-01 -0.982573D+00
               286           287           288           289           290 
      1   0.105291D+01  0.323581D+00  0.400889D-01 -0.390130D+00  0.231676D+00
      2   0.323581D+00  0.138105D+01 -0.720481D+00  0.231676D+00  0.493661D+00
      3   0.400889D-01 -0.720481D+00 -0.904107D-01 -0.479155D+00  0.212276D+00
               291           292           293           294           295 
      1  -0.479155D+00  0.120473D+01  0.351146D+00  0.195213D+00 -0.217891D+01
      2   0.212276D+00  0.351146D+00  0.170372D+00 -0.319317D+00 -0.419536D+00
      3   0.334992D+00  0.195213D+00 -0.319317D+00  0.734967D+00 -0.785753D+00
               296           297 
      1  -0.419536D+00 -0.785753D+00
      2  -0.153854D+01 -0.353992D+00
      3  -0.353992D+00 -0.628716D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124165D+01 -0.232913D+01  0.115004D+01 -0.705632D+01 -0.231857D+01
      2   0.278567D+01 -0.208406D+01  0.893801D+01 -0.226605D+01  0.154735D+01
      3   0.165739D+02 -0.168566D+01  0.273969D+01  0.852382D+01 -0.170064D+01
                 6             7             8             9            10 
      1  -0.223501D+01 -0.163656D+01  0.171195D+01  0.282942D-01 -0.133248D+01
      2  -0.315348D+01 -0.434195D+01 -0.110094D+01  0.248076D+01  0.171465D+00
      3   0.229100D+01  0.142039D+02  0.321659D+00  0.277275D+01 -0.316717D+02
                11            12            13            14            15 
      1   0.366285D+00  0.163453D+01  0.227003D+01  0.435697D+01 -0.856812D+01
      2   0.550826D+00 -0.438291D+01  0.488288D+01  0.218814D+00  0.636339D+00
      3  -0.504686D+00  0.935009D+00  0.115158D+02 -0.144345D+01 -0.473348D+00
                16            17            18            19            20 
      1  -0.326422D+01 -0.184154D+01 -0.499945D+01 -0.705204D-01  0.153464D+01
      2  -0.254128D+02 -0.175451D+01 -0.271065D+01 -0.378859D+01 -0.200234D+01
      3  -0.864759D+00 -0.163755D+01 -0.148473D+01 -0.100476D+02 -0.177323D+01
                21            22            23            24            25 
      1  -0.119284D+01  0.579437D+01 -0.165544D+01 -0.340597D+01  0.482826D+01
      2   0.295923D+01 -0.423583D+01 -0.182959D+01  0.105920D+01 -0.126814D+01
      3   0.221669D+01  0.816155D+01  0.127898D+01 -0.266015D+01  0.173191D+02
                26            27            28            29            30 
      1   0.149400D+01 -0.166270D+01  0.156085D+01  0.629151D+00 -0.279359D+01
      2   0.735976D+00 -0.138778D+01  0.774647D+00  0.204443D+01 -0.419287D+01
      3  -0.913564D+00 -0.437675D+01  0.285739D+02  0.137416D+01 -0.265433D+01
                31            32            33            34            35 
      1  -0.169757D+01  0.447950D+01 -0.887025D+01 -0.513064D+01 -0.937307D+00
      2   0.467893D+01 -0.123490D+00  0.226864D+01 -0.267901D+02  0.335621D+01
      3   0.898917D+01  0.564128D+01  0.827861D+00 -0.629850D+01 -0.202491D+01
                36            37            38            39            40 
      1  -0.329487D+01 -0.228045D+01 -0.103780D+01 -0.117433D+01 -0.603970D+01
      2  -0.151668D+01  0.693731D+00 -0.239503D+01  0.822614D+01 -0.332461D+01
      3   0.197461D+01 -0.134793D+02 -0.756294D+00  0.289841D+01  0.136601D+02
                41            42            43            44            45 
      1   0.126284D+01  0.881515D+00 -0.205639D+01  0.341633D+01  0.228470D+01
      2   0.168534D+01 -0.200409D+01 -0.678137D+01 -0.864509D+00  0.249578D+01
      3  -0.503670D+00  0.241444D+01 -0.107219D+02  0.370457D+01  0.147168D+01
                46            47            48            49            50 
      1   0.118982D+01  0.148118D+01  0.259817D+01  0.874727D+01  0.138222D+01
      2  -0.258611D+01 -0.199320D+01  0.355552D+01 -0.411781D+01 -0.183525D+01
      3   0.126817D+02 -0.221827D+01 -0.675888D+00  0.138320D+02  0.125755D+01
                51            52            53            54            55 
      1  -0.250339D+01  0.267225D+01  0.341443D+01  0.506180D+00 -0.154194D+01
      2   0.107154D+01 -0.176555D+01  0.128552D+01 -0.189070D+01 -0.355718D+01
      3  -0.439586D+01 -0.103859D+02 -0.143868D+01 -0.115232D+01  0.171760D+02
                56            57            58            59            60 
      1  -0.124843D+00 -0.533137D+00 -0.448454D+00 -0.575685D+01 -0.658713D+00
      2   0.703859D+00 -0.293427D+00 -0.115529D+01 -0.100561D+02  0.179493D+01
      3   0.926533D+01  0.384511D-01  0.343275D+02 -0.193579D+01  0.544851D+01
                61            62            63            64            65 
      1   0.149804D+00  0.385569D+01  0.470646D+01  0.227834D+01  0.917829D+00
      2  -0.203638D+02  0.818677D+00  0.217490D+02  0.341800D+01  0.143064D+01
      3   0.905169D+01  0.101295D+02  0.130380D+01 -0.195907D+02 -0.190535D+02
                66            67            68            69            70 
      1  -0.166012D+01 -0.407606D+00 -0.139375D+01 -0.219096D+01  0.106037D+00
      2   0.126418D+02  0.455674D+01  0.936263D+01  0.448006D+00  0.129007D+02
      3  -0.167844D+01 -0.258608D+02  0.601048D+01 -0.760340D+01 -0.997770D+01
                71            72            73            74            75 
      1   0.413800D+01  0.439104D+01  0.236574D+01  0.239861D+01  0.472690D+01
      2   0.356440D+01 -0.349957D+02 -0.110881D+01 -0.439439D+01 -0.470471D+01
      3  -0.113410D+02 -0.277360D+01  0.265193D+02  0.284032D+01  0.809086D+00
                76            77            78            79            80 
      1   0.335591D+01  0.918065D+01  0.231824D+01  0.686173D+01  0.844112D+01
      2  -0.564540D+01 -0.100328D+02 -0.465335D+01 -0.116671D+02 -0.733039D+01
      3   0.965643D+01 -0.534186D+01  0.761767D+01  0.129993D+01  0.104386D+02
                81            82            83            84            85 
      1  -0.119303D+02 -0.340927D+00 -0.145541D+00  0.249922D+00  0.968637D-01
      2   0.189395D+02 -0.581437D+01 -0.254913D+01 -0.156156D+02 -0.413523D+01
      3   0.361036D+01  0.898657D+01  0.193002D+02  0.310965D+01  0.373061D+02
                86            87            88            89            90 
      1   0.106300D+01 -0.216477D+01  0.662183D+00  0.996768D+00 -0.113553D+01
      2  -0.211327D+02 -0.105126D+01 -0.305110D+02 -0.163807D+01  0.273335D+02
      3  -0.143413D+02  0.217580D+02  0.490291D+01  0.216535D+02  0.210742D+01
                91            92            93            94            95 
      1   0.394487D+00  0.525865D+00  0.227567D+01  0.192353D+01 -0.208366D+01
      2  -0.396893D+01 -0.346542D+01  0.978914D-01 -0.328391D+01 -0.268161D+01
      3  -0.439294D+01  0.142876D+00  0.326461D+01  0.334827D+02 -0.163619D+02
                96            97            98            99           100 
      1  -0.342047D+01  0.271906D+01  0.523359D+01 -0.134924D+01 -0.564895D+00
      2  -0.680811D+01 -0.154313D+02 -0.596491D+01  0.160140D+02  0.259719D+01
      3  -0.125939D+01  0.231632D+01  0.403939D+01  0.482841D+01  0.123012D+02
               101           102           103           104           105 
      1  -0.629532D+01 -0.588021D+01 -0.638600D-01  0.126517D+00  0.285592D+01
      2   0.315340D+01  0.455809D+01  0.137579D+01  0.322899D+01  0.149046D+02
      3  -0.127575D+02 -0.538741D+01 -0.835306D+01  0.345585D+01  0.121329D+01
               106           107           108           109           110 
      1  -0.660323D+01 -0.190555D+01 -0.418897D+01  0.429257D+01  0.324444D+01
      2  -0.397405D+01  0.100477D+02 -0.171101D+02  0.973816D+01 -0.243567D+01
      3  -0.123567D+02  0.171179D+02 -0.668698D+01 -0.521338D+00 -0.549481D+01
               111           112           113           114           115 
      1   0.419290D+01 -0.365069D+00 -0.360606D+00 -0.724608D+01  0.362707D+01
      2   0.918584D+01 -0.487672D+00  0.679293D+01 -0.113500D+02  0.412595D+01
      3   0.519097D+00 -0.413681D+01  0.116156D+02 -0.722769D+01  0.124193D+02
               116           117           118           119           120 
      1   0.646170D+01  0.114917D+02 -0.370070D+01  0.263676D+01  0.387341D-01
      2  -0.621538D+01  0.308630D+02 -0.607249D+01 -0.106688D+01  0.417061D+00
      3  -0.210261D+02  0.600058D+01 -0.881570D+00  0.759545D+01  0.448428D+01
               121           122           123           124           125 
      1   0.986790D+00 -0.461437D+01 -0.238305D+01 -0.185461D+01  0.769004D+01
      2  -0.251407D+01 -0.478308D+01 -0.205755D+01 -0.130378D+01 -0.850127D+01
      3   0.910279D+01 -0.170995D+02  0.303987D+01 -0.134822D+01  0.800863D+01
               126           127           128           129           130 
      1  -0.687276D+01 -0.180524D+01 -0.211794D+01  0.958519D+00 -0.147135D+00
      2  -0.161730D+02  0.467867D+01  0.873451D+00 -0.697648D+00  0.477320D+00
      3   0.908026D+01 -0.216102D+00 -0.992740D+00  0.881986D+00  0.109131D+01
               131           132           133           134           135 
      1  -0.138039D+01 -0.308112D+00  0.282172D+01  0.556334D+01 -0.461741D+01
      2  -0.433936D-01  0.565083D+00 -0.516442D+01 -0.464210D+00 -0.182629D+01
      3  -0.401004D+00  0.409716D+00  0.919299D+00  0.226954D+01 -0.151413D+01
               136           137           138           139           140 
      1  -0.244134D+01  0.322408D+01 -0.641397D+00  0.102827D+01 -0.132120D+01
      2  -0.855865D+01  0.172960D+01 -0.701085D+00  0.200437D+01 -0.613864D+00
      3   0.463261D+00 -0.163264D+01  0.815461D+00  0.591750D+00  0.123286D+01
               141           142           143           144           145 
      1  -0.698882D+00 -0.183616D+01  0.417463D+01 -0.253171D+01  0.171051D+01
      2   0.171501D-01 -0.443412D+01  0.481509D+00  0.110278D+01  0.448088D+01
      3  -0.408311D+00  0.704964D+00 -0.277863D+01  0.161103D+01  0.283360D+01
               146           147           148           149           150 
      1  -0.109074D+01 -0.226126D+01  0.107500D+01 -0.333253D-01 -0.360341D+01
      2   0.323806D+00 -0.647985D+00  0.546757D+00 -0.188492D+00  0.580485D+00
      3  -0.919923D-01 -0.188207D+01  0.191801D+01 -0.444789D+00 -0.511209D+00
               151           152           153           154           155 
      1  -0.160299D+01  0.265807D+01  0.547239D+01  0.247216D+01  0.156116D+01
      2  -0.471319D+01 -0.332324D+00 -0.129329D+01 -0.564745D+01  0.107722D+00
      3  -0.243504D+01  0.998713D+00  0.178738D+01 -0.515633D+01 -0.101683D+01
               156           157           158           159           160 
      1   0.230286D+01 -0.136835D+01  0.105217D+00 -0.379854D+01  0.230283D+01
      2  -0.220954D-01  0.120127D+01  0.148178D+00 -0.968079D+00 -0.333082D+01
      3  -0.208229D+01  0.421600D+01  0.777172D+00  0.853148D+00 -0.316737D+01
               161           162           163           164           165 
      1   0.176239D+01  0.405045D+01 -0.130909D+01 -0.734396D+00  0.111109D+01
      2  -0.124821D+00  0.209094D+01 -0.521300D+01  0.683685D+00  0.572965D+01
      3  -0.144118D+01 -0.186930D+01 -0.175757D+01 -0.367416D+01  0.496158D+00
               166           167           168           169           170 
      1   0.696230D-01 -0.330035D+00 -0.104358D+01  0.217712D+01  0.245695D+01
      2   0.588790D+00 -0.981933D+00  0.974701D+00  0.157074D+01 -0.402072D+01
      3  -0.306257D+01  0.327710D+00  0.163185D+01  0.352207D+01  0.465737D+01
               171           172           173           174           175 
      1  -0.640292D+01  0.975354D+00 -0.104556D+01  0.147838D+01 -0.151104D+01
      2  -0.206868D+02  0.493093D+01 -0.143841D+01  0.330117D+01 -0.271366D+01
      3   0.416416D+00  0.825927D+00 -0.747950D+01 -0.284444D+00 -0.347137D+01
               176           177           178           179           180 
      1   0.360586D+01 -0.362051D+01  0.153266D+01 -0.111445D+01  0.110954D+01
      2   0.557683D+01 -0.392073D+01  0.316367D+01 -0.394772D+01  0.671115D+00
      3   0.181393D+02 -0.186540D+01 -0.373260D+01 -0.675898D+01  0.184699D+01
               181           182           183           184           185 
      1  -0.258991D+01 -0.161802D+01  0.814114D+00 -0.113069D+01 -0.321312D+00
      2   0.765477D+01  0.789549D+00 -0.439966D+01  0.222711D+01  0.346462D+01
      3   0.272872D+01  0.263522D+01  0.365624D+00  0.531876D+01 -0.644792D+00
               186           187           188           189           190 
      1  -0.725651D+00  0.159096D+01  0.368013D+01 -0.390663D+01  0.353031D+00
      2  -0.813065D+00 -0.870594D+01 -0.110354D+01  0.297000D+02 -0.149860D+01
      3  -0.257394D+01 -0.244699D+00 -0.427244D+01 -0.177965D+00 -0.263558D+02
               191           192           193           194           195 
      1   0.652173D+00  0.254237D+01  0.253421D-01 -0.857913D+00 -0.123536D+01
      2   0.382103D+00 -0.515966D+00  0.436541D+00  0.739405D+00  0.358346D+00
      3   0.705688D+01  0.784170D+00  0.655508D+01 -0.393257D+01 -0.107931D+01
               196           197           198           199           200 
      1   0.213989D+01  0.608855D+00  0.667092D+00  0.202819D+01 -0.140257D+00
      2  -0.334457D+01  0.124424D+01 -0.957834D+00 -0.310484D+01 -0.113555D+01
      3   0.108077D+01 -0.217309D+01 -0.275204D+01 -0.250616D+01 -0.343263D+01
               201           202           203           204           205 
      1  -0.299064D+01  0.210617D+00  0.108354D+01 -0.240514D+01 -0.283201D+01
      2   0.519749D+01 -0.207787D+00 -0.177362D+01  0.115109D+01  0.441356D+00
      3  -0.127069D+00 -0.244575D+00 -0.176311D+01  0.177000D+01 -0.235402D+01
               206           207           208           209           210 
      1  -0.461029D-01  0.150551D+02 -0.261860D+01 -0.225593D+01 -0.407688D+01
      2   0.622783D+01 -0.225202D+02  0.345517D+01  0.319121D+01  0.493623D+01
      3   0.778200D+01 -0.523172D+01 -0.460284D+01 -0.973608D+01 -0.849199D+00
               211           212           213           214           215 
      1  -0.346097D+01 -0.556622D+01 -0.610888D+01 -0.345293D+01 -0.324660D+01
      2   0.322612D+01  0.734528D+01  0.623847D+01  0.341044D+01  0.677571D+01
      3  -0.293267D+01 -0.188594D+02 -0.472763D+01 -0.774895D+00 -0.104576D+02
               216           217           218           219           220 
      1  -0.347332D+01  0.225101D+00 -0.426127D+00 -0.260149D-01  0.104644D+00
      2   0.424182D+01 -0.865744D+01  0.274748D+00  0.111284D+02 -0.855093D-01
      3  -0.447334D+01 -0.589392D+00 -0.458095D+01 -0.351205D+00 -0.457165D+01
               221           222           223           224           225 
      1   0.345880D-01 -0.935997D+00 -0.598772D+00  0.270401D+01  0.936493D+00
      2  -0.201982D+01  0.757088D+00  0.158371D+02 -0.809680D-01 -0.361080D+02
      3   0.941022D+00  0.170991D+01 -0.729240D+00  0.705343D+01 -0.198661D+00
               226           227           228           229           230 
      1  -0.672105D+00  0.709334D+00  0.471235D+00  0.766778D+00 -0.241054D+01
      2   0.407834D+01 -0.244734D+01  0.544309D+01 -0.408138D+01  0.103694D+02
      3   0.894631D+01 -0.112986D+02  0.293122D+01 -0.147930D+02  0.333468D+02
               231           232           233           234           235 
      1  -0.182738D+01 -0.231483D+00  0.185904D+01  0.238293D+00  0.258791D+00
      2  -0.101843D+02  0.661936D+01 -0.673157D+01  0.552943D+01  0.797457D+01
      3  -0.107810D+02  0.442748D+01 -0.129442D+02  0.651146D+01 -0.120044D+02
               236           237           238           239           240 
      1   0.844020D+00 -0.966561D+00  0.229224D+00  0.117611D+01 -0.170846D+01
      2   0.442183D+01  0.972992D+01  0.696573D+01  0.918602D+01  0.104624D+02
      3  -0.134486D+02 -0.504020D+01 -0.164282D+02 -0.199011D+02 -0.984846D+01
               241           242           243           244           245 
      1  -0.648384D+00  0.159976D+01 -0.735344D+00  0.283416D+00 -0.365088D+00
      2   0.111250D+02  0.685435D+01  0.857120D+01 -0.590093D+01  0.849746D-01
      3  -0.715280D+01 -0.124541D+02 -0.693805D+01 -0.283000D+01 -0.196257D+01
               246           247           248           249           250 
      1  -0.888668D+00 -0.448622D-02 -0.667509D-01 -0.116425D+01 -0.134094D+01
      2   0.392992D+01  0.388700D+00 -0.263476D+01  0.435814D+01  0.690666D+00
      3  -0.479639D+00 -0.726302D+00 -0.117519D+01  0.285257D+01 -0.136404D+01
               251           252           253           254           255 
      1   0.287967D+01  0.329735D+01 -0.207178D+01  0.122667D+01 -0.229835D+01
      2   0.387429D+01 -0.188637D+02  0.147710D+02  0.369298D+01  0.643937D+01
      3   0.433626D+01 -0.236975D+01 -0.151955D+02 -0.163701D+02  0.275529D-01
               256           257           258           259           260 
      1  -0.119071D+01 -0.613896D+01 -0.352293D+01 -0.963530D+00  0.120499D+01
      2   0.467484D+01  0.467281D+01  0.597219D+01  0.485434D+01  0.475434D+01
      3  -0.784654D+01  0.212627D+02 -0.384520D+01  0.143351D+01 -0.668198D+01
               261           262           263           264           265 
      1   0.938967D+01  0.700250D+00 -0.131154D+01  0.979395D+00 -0.278088D+01
      2  -0.190664D+02 -0.979197D+00  0.724883D+00  0.140537D+01  0.220045D+00
      3  -0.421739D+01  0.345324D+01 -0.555283D+01 -0.200819D+01 -0.516177D+01
               266           267           268           269           270 
      1   0.865966D+01 -0.266214D+01  0.284872D+00 -0.556911D+00  0.114275D+01
      2  -0.416559D+01 -0.620433D+01  0.303606D+00 -0.162685D+01 -0.110406D+01
      3   0.312615D+02  0.640860D+01  0.158494D+01 -0.562996D+01  0.156098D+01
               271           272           273           274           275 
      1   0.120296D+01  0.662852D+00 -0.253383D+01  0.797243D+00  0.670230D+00
      2  -0.786521D+01 -0.297309D+00  0.841537D+01 -0.895607D+00 -0.127427D+01
      3   0.144553D+02 -0.649181D+01 -0.110336D+01 -0.313495D+01 -0.911967D+00
               276           277           278           279           280 
      1  -0.228786D+00 -0.189247D+01  0.627881D+00 -0.118045D+00  0.142924D+01
      2  -0.448184D+00  0.409842D+01 -0.264785D-01 -0.725356D-01 -0.102051D+01
      3   0.812499D+00 -0.147754D+01  0.203927D+01  0.156904D+01 -0.506937D+01
               281           282           283           284           285 
      1  -0.896991D+00  0.184364D+01 -0.447213D+00  0.523512D+01 -0.440805D+01
      2  -0.991339D+00 -0.144205D+01 -0.882276D+00  0.150737D+00  0.330618D+01
      3   0.904813D+01 -0.170126D+00  0.557892D+01 -0.310692D+02  0.571571D+00
               286           287           288           289           290 
      1   0.727341D+00 -0.934106D+00  0.428881D+00 -0.162250D+01 -0.679832D+00
      2  -0.167355D+01  0.232353D+01  0.439730D+00  0.411156D+01 -0.760933D-01
      3  -0.134072D+01  0.447762D+01 -0.267477D+01  0.124146D+01  0.106466D+01
               291           292           293           294           295 
      1   0.549343D+00 -0.333890D+00 -0.220368D+01  0.865537D+00 -0.150158D+00
      2  -0.188795D+01  0.158015D+01  0.168097D+01 -0.330799D+01 -0.221789D+01
      3   0.106433D+01  0.950864D+00  0.390911D+00 -0.139645D+01  0.154041D+01
               296           297 
      1   0.363199D+01 -0.115849D+02
      2   0.376597D+00  0.250875D+02
      3  -0.505410D+01  0.438344D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.328897D+01 -0.713796D+01  0.197024D+02  0.182066D+02 -0.321843D+01
      2   0.702142D+01  0.320100D+01 -0.786880D+01 -0.466054D+01  0.424488D+01
      3  -0.373245D+01  0.393696D+01 -0.118336D+02 -0.135460D+02 -0.102645D+01
      4  -0.455893D+00  0.242024D+01 -0.822214D-01  0.906284D+01  0.479370D+01
      5   0.181203D+02  0.934254D+00 -0.724029D+01 -0.451851D+01 -0.246325D+01
      6  -0.169105D+00 -0.290784D+01  0.211312D+00 -0.678685D+00  0.372504D+01
                 6             7             8             9            10 
      1  -0.163384D+02 -0.253781D+02 -0.897195D+01  0.431048D+01  0.561644D+02
      2   0.108562D+01  0.410557D+01  0.136701D+01  0.432740D+01 -0.221100D+02
      3   0.152528D+02  0.212725D+02  0.760494D+01 -0.863787D+01 -0.340544D+02
      4  -0.402087D+01  0.434351D+01 -0.227098D+01 -0.468418D+01 -0.133536D+02
      5  -0.375133D+01  0.772994D+01 -0.425349D+01  0.675396D+01 -0.595150D+01
      6   0.122783D+02 -0.669087D+01  0.539100D+01  0.140409D+02  0.237793D+01
                11            12            13            14            15 
      1   0.749827D+01 -0.129620D+01  0.923250D+01 -0.445774D+00  0.565939D+01
      2  -0.667943D+01  0.333199D+01 -0.996841D+01  0.636856D+01 -0.886692D+00
      3  -0.818846D+00 -0.203579D+01  0.735905D+00 -0.592278D+01 -0.477270D+01
      4   0.574670D+00 -0.373696D+01  0.181903D+02 -0.569977D+01 -0.842349D+00
      5  -0.443490D+01  0.592341D+01  0.985646D+01 -0.718173D+00 -0.198677D+01
      6   0.432470D+00 -0.672385D+01 -0.489970D+01  0.398341D+01  0.844985D+01
                16            17            18            19            20 
      1  -0.885213D+01  0.572016D+01 -0.162735D+02  0.641150D+00  0.433943D+01
      2  -0.128002D-01  0.505038D+01  0.665514D+00 -0.247679D+01 -0.205326D+01
      3   0.886493D+01 -0.107705D+02  0.156080D+02  0.183564D+01 -0.228618D+01
      4   0.132736D+02  0.165647D+01 -0.235607D+01  0.274362D+01  0.260587D+00
      5  -0.113470D+02 -0.199094D+01 -0.514164D+01 -0.152854D+02  0.256215D+01
      6  -0.480321D+01  0.107769D+01 -0.470193D+01  0.324414D+01  0.461788D+01
                21            22            23            24            25 
      1  -0.245289D+02 -0.972177D+01 -0.545984D+01 -0.600380D+01  0.242002D+02
      2   0.672595D+01 -0.165757D+01  0.637135D+01 -0.997785D-01 -0.123994D+01
      3   0.178030D+02  0.113793D+02 -0.911508D+00  0.610358D+01 -0.229603D+02
      4   0.252817D+01  0.345613D+01 -0.161912D+01  0.387718D+01  0.463489D+01
      5  -0.182226D+01  0.153766D+01  0.211798D+01  0.600723D+01  0.107764D+02
      6   0.527726D+01  0.265431D+01  0.265549D+01  0.809211D+01  0.995036D+01
                26            27            28            29            30 
      1  -0.814365D+01  0.710103D+01  0.196528D+02 -0.121839D+01  0.102835D+01
      2   0.160847D+01 -0.207220D+01 -0.434210D+01  0.575737D+01  0.115002D+01
      3   0.653518D+01 -0.502882D+01 -0.153107D+02 -0.453898D+01 -0.217836D+01
      4   0.349749D+01  0.674622D+01  0.249253D+02  0.956053D+00 -0.235289D+01
      5   0.499825D+01 -0.467021D+01  0.157324D+01 -0.169494D+01  0.610688D+01
      6   0.219642D+01  0.101140D+02  0.399851D+01 -0.122577D+01  0.469328D+01
                31            32            33            34            35 
      1  -0.483558D+00 -0.130813D+01  0.725846D+01 -0.822005D+01  0.945955D+01
      2   0.644839D+01  0.513352D+01 -0.188579D+01  0.215065D+01  0.306192D+01
      3  -0.596483D+01 -0.382539D+01 -0.537267D+01  0.606941D+01 -0.125215D+02
      4   0.169277D+02 -0.905213D-01  0.165630D+01  0.107355D+02  0.536439D+01
      5   0.111123D+02  0.279464D+00  0.159282D+01 -0.149753D+02  0.288379D+01
      6  -0.117220D+01  0.378046D+01  0.608833D+01 -0.120982D+01  0.137713D+01
                36            37            38            39            40 
      1  -0.194438D+02  0.968766D+01 -0.118018D+02  0.223906D+02  0.465070D+01
      2   0.240604D+01 -0.923456D-01  0.109815D+02 -0.117739D+02  0.429930D+01
      3   0.170378D+02 -0.959531D+01  0.820290D+00 -0.106167D+02 -0.894999D+01
      4   0.103325D+01 -0.868601D+01 -0.101924D+01  0.426563D+01  0.156767D+02
      5  -0.330129D+01  0.125499D+02  0.221285D+01 -0.871841D+01 -0.156840D+01
      6  -0.757979D+01 -0.517840D+00 -0.537650D+01  0.475719D+01 -0.427126D+00
                41            42            43            44            45 
      1  -0.109672D+02 -0.689066D+01 -0.192122D+02 -0.482588D+01  0.869507D+01
      2   0.168844D+02 -0.106188D+02  0.177838D+01 -0.293926D+01 -0.100933D+01
      3  -0.591725D+01  0.175094D+02  0.174338D+02  0.776514D+01 -0.768574D+01
      4   0.663387D+01 -0.287850D+01 -0.240332D+01 -0.246961D+01 -0.682145D+01
      5  -0.157228D+01 -0.293667D+01  0.641756D+01 -0.615609D+01  0.894172D+01
      6  -0.635551D+01  0.614686D+01 -0.104127D+02  0.690548D+00  0.909209D+01
                46            47            48            49            50 
      1  -0.733090D+01  0.911318D+01 -0.241516D+02 -0.637117D+01 -0.158267D+02
      2   0.232863D+01 -0.833600D+01  0.780491D+01 -0.526396D+01  0.218723D+02
      3   0.500228D+01 -0.777177D+00  0.163467D+02  0.116351D+02 -0.604562D+01
      4   0.893609D+01  0.558886D+00  0.452942D+01  0.557084D+01 -0.593524D+01
      5  -0.131768D+02  0.524230D+01 -0.324810D+01  0.603762D+01  0.183544D+01
      6   0.404459D+01  0.480322D+01 -0.371873D+01 -0.473730D+00 -0.584665D+01
                51            52            53            54            55 
      1   0.294620D+01  0.368627D+02 -0.391734D+01  0.775714D+01 -0.427826D+02
      2  -0.104279D+02 -0.997411D+01 -0.194180D+00 -0.463313D+01  0.142359D+02
      3   0.748173D+01 -0.268886D+02  0.411152D+01 -0.312401D+01  0.285467D+02
      4   0.106761D+01 -0.309377D+01 -0.904108D+00  0.766346D+01  0.473651D+01
      5   0.654656D+01  0.262334D+01  0.676188D+01 -0.674824D+01 -0.893704D+00
      6   0.407152D+01  0.115253D+02 -0.271195D+01  0.736773D+01  0.155382D+01
                56            57            58            59            60 
      1  -0.831017D+01 -0.243036D+01 -0.384748D+02 -0.274866D+02 -0.335207D+01
      2   0.644449D+01 -0.198185D+01  0.274833D+02  0.247333D+01  0.432918D+01
      3   0.186568D+01  0.441221D+01  0.109915D+02  0.250132D+02 -0.977111D+00
      4  -0.230704D+02  0.372510D+00 -0.491549D+02  0.287851D+02 -0.113978D+02
      5   0.282964D+00 -0.979781D+01 -0.272707D+01 -0.115601D+02  0.152969D+01
      6   0.642486D+00  0.163599D+01 -0.103185D+01  0.444825D+01 -0.636231D-01
                61            62            63            64            65 
      1  -0.283095D+02 -0.644894D+01 -0.599815D+01 -0.424527D+02  0.143988D+02
      2   0.347586D+01  0.642722D+01  0.120277D+02  0.283305D+02 -0.262077D+01
      3   0.248337D+02  0.217226D-01 -0.602955D+01  0.141222D+02 -0.117780D+02
      4  -0.412702D+01 -0.197727D+02  0.770945D+01  0.155902D+02  0.277140D+02
      5  -0.237743D+02  0.520063D+01  0.413544D+02 -0.246053D+01  0.303154D+01
      6   0.376178D+01 -0.201209D+01 -0.667404D+01  0.102514D+01 -0.246256D+01
                66            67            68            69            70 
      1  -0.315526D+01  0.530558D+02  0.474321D+02 -0.532427D+00  0.184089D+02
      2  -0.812366D+00 -0.229009D+02 -0.252397D+02  0.201072D+01 -0.611270D+01
      3   0.396762D+01 -0.301549D+02 -0.221924D+02 -0.147829D+01 -0.122962D+02
      4   0.257519D+01  0.457588D+02 -0.141763D+02  0.141313D+02  0.528895D+01
      5   0.178243D+02  0.664007D+01  0.159334D+02  0.277656D+01  0.360567D+02
      6   0.325730D+01  0.310337D+01  0.457190D+01 -0.637287D+00  0.298764D+01
                71            72            73            74            75 
      1   0.136174D+01  0.333335D+02  0.528431D+02 -0.779689D+01 -0.752772D+01
      2   0.341480D+01 -0.928280D+01 -0.363803D+02 -0.693223D+01 -0.507341D+00
      3  -0.477655D+01 -0.240507D+02 -0.164629D+02  0.147291D+02  0.803506D+01
      4   0.178993D+02  0.532212D+01 -0.466435D+01 -0.291712D+02 -0.863794D+01
      5   0.452345D+01 -0.598142D+02 -0.736302D+01 -0.649405D+01 -0.122690D+02
      6   0.542487D+01 -0.682284D+01 -0.733265D+01 -0.276357D+01 -0.907362D+01
                76            77            78            79            80 
      1  -0.124233D+02 -0.308597D+02  0.236989D+01 -0.119329D+02  0.124186D+01
      2  -0.627389D+01  0.115743D+02 -0.112350D+02 -0.204655D+01 -0.138109D+02
      3   0.186972D+02  0.192854D+02  0.886511D+01  0.139795D+02  0.125690D+02
      4  -0.358775D+02 -0.158741D+02 -0.198585D+02 -0.859391D+01 -0.282575D+02
      5  -0.681255D+01 -0.191045D+02 -0.934730D+01 -0.211035D+02 -0.159900D+02
      6  -0.548544D+01 -0.166503D+02 -0.446136D+01 -0.111074D+02 -0.930115D+01
                81            82            83            84            85 
      1  -0.821918D+01  0.501927D+02 -0.182118D+02 -0.493199D+01 -0.305542D+02
      2   0.822116D+01 -0.272197D+02  0.861082D+01  0.754418D+00  0.145353D+02
      3  -0.198710D-02 -0.229729D+02  0.960098D+01  0.417757D+01  0.160189D+02
      4  -0.207324D+02 -0.214628D+02 -0.397213D+02 -0.639085D+01 -0.607485D+02
      5   0.419622D+02 -0.857413D+01 -0.686412D+01 -0.330024D+02 -0.108105D+02
      6   0.205028D+02 -0.166871D+01 -0.468290D+01 -0.202918D+01 -0.929059D+01
                86            87            88            89            90 
      1  -0.534420D+02 -0.662528D+01 -0.143230D+02 -0.634928D+01 -0.441388D+02
      2   0.262435D+02  0.235999D+01  0.291988D+01  0.225333D+01  0.247148D+02
      3   0.271985D+02  0.426529D+01  0.114031D+02  0.409594D+01  0.194241D+02
      4   0.238006D+02 -0.410853D+02 -0.101231D+02 -0.396934D+02 -0.523015D+01
      5  -0.440689D+02 -0.417849D+01 -0.534611D+02 -0.415827D+01  0.514449D+02
      6   0.292060D+00 -0.458724D+01 -0.359742D+01 -0.532611D+01  0.147100D+01
                91            92            93            94            95 
      1   0.889196D+01 -0.172825D+01 -0.264080D+00 -0.103635D+02 -0.165399D+02
      2  -0.843433D+01 -0.383156D+01 -0.160262D+01  0.570474D+01  0.677903D+01
      3  -0.457631D+00  0.555981D+01  0.186670D+01  0.465878D+01  0.976089D+01
      4  -0.188480D+02 -0.143357D+02 -0.748764D+01 -0.403370D+02  0.163564D+02
      5  -0.548720D+01 -0.686591D+01 -0.795711D+01 -0.129358D+02 -0.113702D+01
      6  -0.471542D+01 -0.231582D+01 -0.484581D+01 -0.230859D+01 -0.492934D+01
                96            97            98            99           100 
      1  -0.629895D+01 -0.144242D+02 -0.872646D+01 -0.112113D+01 -0.462778D+01
      2   0.415636D+00 -0.331028D+00 -0.227920D+01  0.742043D+01  0.194398D+00
      3   0.588332D+01  0.147552D+02  0.110057D+02 -0.629930D+01  0.443338D+01
      4  -0.670388D+00 -0.194538D+02 -0.118520D+02 -0.150782D+02  0.143015D+02
      5  -0.134856D+02 -0.140478D+02 -0.143097D+02  0.316702D+02 -0.162882D+02
      6  -0.248615D+01 -0.771527D+01 -0.267272D+01  0.896601D+01  0.504628D+01
               101           102           103           104           105 
      1   0.580214D+01 -0.771774D+01  0.194919D+02  0.467583D+01  0.104648D+02
      2   0.632456D+00  0.581007D+01 -0.160118D+02  0.363745D+01 -0.356071D+01
      3  -0.643459D+01  0.190767D+01 -0.348005D+01 -0.831328D+01 -0.690411D+01
      4  -0.363722D+01  0.721086D+01  0.747479D+00 -0.185417D+02 -0.112284D+01
      5   0.660814D+01 -0.386220D+01  0.641483D+01 -0.502416D+00  0.281373D+02
      6  -0.531409D+01  0.662609D+01 -0.723286D+00 -0.325013D+01 -0.169448D+02
               106           107           108           109           110 
      1  -0.252333D+02  0.114033D+02 -0.632458D+01  0.448044D+02 -0.133781D+02
      2   0.783944D+01  0.620742D+01  0.450814D+01 -0.213462D+02  0.386227D+01
      3   0.173939D+02 -0.176107D+02  0.181645D+01 -0.234582D+02  0.951584D+01
      4   0.242042D+02 -0.272403D+02  0.218643D+02 -0.253018D+02  0.217366D+02
      5  -0.221921D+02  0.198017D+02 -0.224998D+02  0.326239D+02 -0.609626D+01
      6   0.123000D+02 -0.187788D+02  0.472163D+01 -0.114470D+02  0.414816D+01
               111           112           113           114           115 
      1   0.251010D+02 -0.154138D+02  0.319294D+01 -0.219143D+01  0.417613D+02
      2  -0.151465D+02  0.278454D+01  0.804648D+01 -0.366210D+00 -0.197694D+02
      3  -0.995459D+01  0.126293D+02 -0.112394D+02  0.255764D+01 -0.219919D+02
      4  -0.102567D+02  0.244791D+02 -0.224499D+02  0.170146D+02 -0.264014D+02
      5   0.231503D+02 -0.123678D+02  0.162097D+02 -0.213146D+02  0.372109D+02
      6  -0.757564D+01  0.592276D+01 -0.112018D+02  0.181580D+02 -0.117975D+02
               116           117           118           119           120 
      1  -0.465876D+01  0.112462D+02  0.168198D+00 -0.108486D+02 -0.138815D+02
      2  -0.554735D+01 -0.157879D+02 -0.322599D+01  0.134714D+02  0.868358D+01
      3   0.102061D+02  0.454175D+01  0.305779D+01 -0.262277D+01  0.519790D+01
      4   0.374450D+02 -0.191128D+02  0.557161D+00 -0.777674D+01  0.328625D+01
      5  -0.174365D+02  0.598709D+02 -0.918095D+01 -0.151915D+01  0.609211D+01
      6   0.174348D+02 -0.271256D+02  0.377313D+01  0.546772D+01  0.110423D+01
               121           122           123           124           125 
      1  -0.370605D+01 -0.726631D+01 -0.621791D+01 -0.135006D+02 -0.837268D+01
      2   0.139402D+02 -0.168728D+02  0.192264D+01  0.811357D+01  0.647471D+01
      3  -0.102341D+02  0.241391D+02  0.429527D+01  0.538703D+01  0.189798D+01
      4  -0.130798D+02  0.476363D+02 -0.301318D+01  0.127947D+02 -0.152498D+02
      5   0.197041D+01 -0.245285D+01 -0.554703D+01  0.198456D+02 -0.192017D+02
      6   0.277930D+01  0.241266D+01  0.114268D+02 -0.728380D+01  0.215970D+02
               126           127           128           129           130 
      1  -0.914249D+01 -0.637871D+00 -0.589050D-01  0.386037D+01 -0.272069D+01
      2  -0.725855D+01 -0.528664D+01 -0.122347D+01  0.552887D+01 -0.456484D+00
      3   0.164010D+02  0.592451D+01  0.128238D+01 -0.938924D+01  0.317717D+01
      4  -0.170050D+02  0.104404D+01  0.258443D+01 -0.830498D+00  0.129736D+01
      5  -0.360412D+02 -0.926941D+01 -0.252111D+01  0.121275D+02 -0.284078D+01
      6   0.244518D+02  0.214036D+00 -0.180056D+01 -0.629921D+00 -0.118114D+01
               131           132           133           134           135 
      1  -0.364679D+01  0.799371D+01  0.340283D+01  0.477137D+01 -0.247868D+02
      2  -0.246803D+00  0.313700D+01  0.678132D+01  0.184137D+01 -0.144025D+02
      3   0.389359D+01 -0.111307D+02 -0.101842D+02 -0.661274D+01  0.391893D+02
      4   0.116659D+01 -0.140438D+01 -0.190497D+01 -0.341411D+01  0.193862D+01
      5  -0.266486D+01  0.422338D+01  0.122743D+02  0.389718D+01 -0.190577D+02
      6  -0.297940D+01  0.229641D+01  0.912109D+00  0.606827D+01 -0.251781D+01
               136           137           138           139           140 
      1   0.398257D+01 -0.647413D-01 -0.210925D+01  0.129592D+00 -0.204826D+01
      2  -0.566443D+01  0.940925D+00 -0.414674D+01  0.205622D+01 -0.711138D-01
      3   0.168186D+01 -0.876184D+00  0.625599D+01 -0.218581D+01  0.211937D+01
      4  -0.257566D+01  0.402099D+01 -0.112625D+01  0.251621D+01 -0.301398D+01
      5   0.113047D+02 -0.287322D+01  0.100978D+02 -0.465217D+01  0.325842D+01
      6  -0.308874D+00  0.197158D+01 -0.781945D+00  0.780459D+00 -0.295805D+01
               141           142           143           144           145 
      1   0.507771D+01 -0.335635D+01  0.410891D+01 -0.129227D+02 -0.248226D+01
      2   0.218077D+01 -0.537394D+01  0.839607D+00 -0.840741D+01 -0.299406D+01
      3  -0.725848D+01  0.873028D+01 -0.494852D+01  0.213301D+02  0.547632D+01
      4   0.142431D+01 -0.193700D+01  0.348823D+01 -0.245610D+01  0.549253D+01
      5  -0.577578D+01  0.126024D+02 -0.423016D+01  0.161516D+02 -0.961386D+01
      6   0.220000D+01 -0.165917D+01  0.508519D+01 -0.341147D+01 -0.570945D+01
               146           147           148           149           150 
      1  -0.199301D+01  0.583388D+01 -0.277747D+01 -0.523983D+01  0.927369D+01
      2   0.514718D+00  0.308886D+01 -0.482068D+00  0.140140D+01  0.468814D+00
      3   0.147829D+01 -0.892274D+01  0.325954D+01  0.383842D+01 -0.974250D+01
      4   0.388700D+01 -0.549138D+01  0.243646D+01  0.204005D+01 -0.294522D+01
      5  -0.365600D+01  0.124046D+02 -0.348758D+01 -0.278259D+01  0.433731D+01
      6  -0.374075D+01  0.637689D+01 -0.299425D+01 -0.562704D+01  0.900851D+01
               151           152           153           154           155 
      1   0.755543D+01  0.112634D+02 -0.303852D+02  0.283689D+01  0.298668D+01
      2   0.223511D+01 -0.329001D+01 -0.603287D+01 -0.324626D+01 -0.279490D+01
      3  -0.979055D+01 -0.797341D+01  0.364181D+02  0.409375D+00 -0.191780D+00
      4  -0.616208D+01 -0.548445D+01  0.805232D+01 -0.108561D+02  0.798806D+01
      5   0.116356D+02  0.544436D+01 -0.183207D+02  0.156213D+02 -0.623237D+01
      6   0.843196D+01  0.132632D+02 -0.234934D+02 -0.884501D+01  0.623825D+01
               156           157           158           159           160 
      1  -0.251870D+01  0.372266D+00 -0.413021D+01  0.566952D+01 -0.384407D+01
      2  -0.212766D+01  0.969230D+00  0.244712D+01  0.379521D-01 -0.256866D+01
      3   0.464636D+01 -0.134150D+01  0.168308D+01 -0.570747D+01  0.641274D+01
      4  -0.841418D+01  0.539568D+01 -0.579942D+01  0.592774D+01 -0.893011D+01
      5   0.142105D+02 -0.728879D+01  0.513773D+01 -0.834523D+01  0.154068D+02
      6  -0.902937D+01  0.548998D+01 -0.635717D+01  0.867607D+01 -0.102713D+02
               161           162           163           164           165 
      1   0.857668D+01 -0.161722D+02  0.794135D+01  0.349288D+00 -0.701138D+01
      2  -0.412489D+01 -0.269371D+01 -0.777838D+01 -0.626529D+00  0.641082D+01
      3  -0.445179D+01  0.188659D+02 -0.162966D+00  0.277241D+00  0.600552D+00
      4   0.770299D+01 -0.106048D+02 -0.185776D+01  0.728088D+01  0.402490D+01
      5  -0.777051D+01  0.203935D+02 -0.132578D+02  0.276369D+01  0.151392D+02
      6   0.120453D+02 -0.183042D+02  0.191080D+01 -0.144821D+01 -0.203188D+01
               166           167           168           169           170 
      1   0.856420D+01  0.146604D+01 -0.190803D+01 -0.164582D+02 -0.335271D+01
      2  -0.540948D+01 -0.223356D+00  0.144805D+01  0.142924D+02  0.660759D+00
      3  -0.315472D+01 -0.124269D+01  0.459974D+00  0.216576D+01  0.269195D+01
      4   0.710403D+01 -0.385221D+01 -0.406520D+01  0.592527D+01 -0.961970D+01
      5  -0.120867D+01 -0.439983D+01  0.205903D+01  0.224978D+02 -0.849311D+01
      6  -0.141323D+01  0.117595D+01  0.519435D+01 -0.522714D+01  0.686892D+01
               171           172           173           174           175 
      1  -0.603110D+01  0.218351D+02 -0.841415D+01  0.373806D+01 -0.158973D+02
      2  -0.137045D+02 -0.460881D+01 -0.669041D+00 -0.870893D+00 -0.219723D+01
      3   0.197356D+02 -0.172263D+02  0.908320D+01 -0.286716D+01  0.180946D+02
      4  -0.112627D+02 -0.211542D+02  0.242288D+02 -0.151607D+01  0.354839D+02
      5  -0.452382D+02  0.438456D+01 -0.363781D+00  0.505380D+01 -0.110716D+01
      6   0.120023D+02 -0.106125D+01 -0.249994D+00 -0.125843D+01  0.463700D+00
               176           177           178           179           180 
      1  -0.469064D+00  0.341479D+00  0.205208D+02  0.119384D+01  0.109209D+01
      2   0.216955D+02 -0.251482D+01 -0.624273D+01 -0.469241D+01 -0.242000D+00
      3  -0.212264D+02  0.217334D+01 -0.142781D+02  0.349857D+01 -0.850093D+00
      4  -0.520015D+02  0.593468D+01 -0.988732D+01  0.161366D+02 -0.863480D+01
      5   0.535622D+01 -0.636397D+01  0.857752D+01 -0.751218D+01  0.219597D+01
      6  -0.109745D+01  0.492012D+01 -0.331004D+01  0.543909D+01 -0.226652D+01
               181           182           183           184           185 
      1  -0.201821D+01 -0.292385D+01  0.106673D+02 -0.920417D+01 -0.112158D+02
      2  -0.252751D+01  0.439636D+00 -0.282999D+01  0.404193D+01  0.532566D+01
      3   0.454572D+01  0.248421D+01 -0.783732D+01  0.516224D+01  0.589014D+01
      4  -0.469837D+01 -0.417860D+01  0.956023D-01 -0.277933D+01  0.100410D+01
      5   0.675723D+01 -0.254252D+00 -0.212828D+01  0.969548D+00  0.417489D+01
      6   0.120067D+01  0.121798D+00 -0.147806D+01 -0.499591D+00 -0.225409D-01
               186           187           188           189           190 
      1  -0.231517D-01  0.225778D+02 -0.453796D+00 -0.229902D+02 -0.546215D+02
      2   0.773773D+00 -0.102040D+02  0.142437D+01 -0.901213D+01  0.313371D+02
      3  -0.750622D+00 -0.123738D+02 -0.970571D+00  0.320023D+02  0.232844D+02
      4   0.368922D+01  0.187173D+01  0.728286D+01 -0.203986D+01 -0.168718D+02
      5  -0.882773D+00  0.420974D+00 -0.658772D+00  0.513701D+02  0.332946D+01
      6   0.689103D+01 -0.120624D+00  0.373760D+01  0.639207D+01  0.255036D+01
               191           192           193           194           195 
      1   0.153052D+02  0.253852D+01  0.690685D+01 -0.949528D+01 -0.734606D+00
      2  -0.157767D+02 -0.121086D+01 -0.735144D+01  0.938336D+01  0.162130D+01
      3   0.471478D+00 -0.132766D+01  0.444596D+00  0.111916D+00 -0.886692D+00
      4  -0.534541D+01  0.236447D+01  0.286511D+01  0.223753D+00  0.195551D+01
      5   0.107864D+01 -0.220748D+01 -0.634100D-01  0.232985D+01  0.105729D+01
      6   0.235523D+00 -0.394481D+01  0.656430D+00  0.114238D+01  0.222994D+01
               196           197           198           199           200 
      1   0.415234D+01 -0.261460D+01 -0.507163D+01  0.230467D+01  0.186518D+01
      2  -0.138649D+01  0.325845D+01  0.190476D+01 -0.166221D+01  0.146539D+01
      3  -0.276584D+01 -0.643850D+00  0.316687D+01 -0.642458D+00 -0.333057D+01
      4   0.125733D+01  0.375701D+01  0.237357D+01  0.582353D+01  0.961898D+01
      5   0.171559D+01  0.324408D+01 -0.332302D+01 -0.963846D+01 -0.343501D+01
      6  -0.175769D+01  0.374229D+01 -0.121371D+01 -0.342443D+01 -0.193310D+01
               201           202           203           204           205 
      1  -0.629386D+01 -0.671250D+00 -0.832978D+00  0.262007D+01 -0.124718D+02
      2   0.513845D+01  0.238068D+01  0.238716D+01 -0.260820D+01  0.838334D+01
      3   0.115541D+01 -0.170943D+01 -0.155418D+01 -0.118702D-01  0.408845D+01
      4  -0.516107D+01  0.604902D+01  0.680897D+01 -0.461733D+01 -0.965859D+01
      5   0.139531D+02 -0.273531D+00 -0.494368D+01  0.295117D+01  0.161160D+02
      6   0.526548D+01 -0.144579D+01 -0.287083D+01  0.771942D+01  0.733778D+01
               206           207           208           209           210 
      1   0.639345D+01 -0.720670D+01  0.141909D+02  0.901674D+01  0.539035D+01
      2  -0.639804D+01 -0.822708D+01  0.166274D+01  0.844720D+01  0.115663D+00
      3   0.458659D-02  0.154338D+02 -0.158537D+02 -0.174639D+02 -0.550602D+01
      4  -0.155901D+02  0.170329D+02  0.270064D+02  0.346662D+02  0.871961D+01
      5   0.149393D+02 -0.499206D+02  0.801758D+01  0.622386D+01  0.960385D+01
      6   0.131240D+02 -0.284004D+02  0.511714D+01  0.500707D+01  0.649677D+01
               211           212           213           214           215 
      1   0.100948D+02 -0.255506D+01 -0.735966D+00  0.106116D+02 -0.181795D+01
      2   0.788822D+01  0.311144D+02  0.763704D+01 -0.746682D+00  0.124986D+02
      3  -0.179830D+02 -0.285594D+02 -0.690108D+01 -0.986489D+01 -0.106807D+02
      4   0.343079D+02  0.562896D+02  0.151245D+02  0.169577D+02  0.281318D+02
      5   0.670671D+01  0.135568D+02  0.111244D+02  0.114077D+02  0.140456D+02
      6   0.556552D+01  0.120555D+02  0.103613D+02  0.747979D+01  0.122849D+02
               216           217           218           219           220 
      1   0.114075D+01  0.259771D+02  0.125328D+01 -0.179166D+02  0.389442D+01
      2   0.219151D+01 -0.153161D+02 -0.498922D+00  0.102393D+02 -0.175929D+01
      3  -0.333226D+01 -0.106610D+02 -0.754355D+00  0.767733D+01 -0.213514D+01
      4   0.159114D+02  0.198384D+01  0.862995D+01  0.404657D+00  0.144515D+02
      5   0.913708D+01 -0.187607D+02  0.741598D+00  0.235224D+02 -0.106241D+00
      6   0.808952D+01 -0.299189D+00  0.295455D+00  0.323400D+00 -0.100954D+01
               221           222           223           224           225 
      1   0.976313D+01  0.530664D+00 -0.517280D+02  0.187070D+01  0.288099D+02
      2  -0.487095D+01 -0.511072D+00  0.305769D+02 -0.164389D+01 -0.238049D+02
      3  -0.489217D+01 -0.195927D-01  0.211512D+02 -0.226813D+00 -0.500501D+01
      4  -0.169809D+01 -0.423459D+01  0.180893D-01 -0.125865D+02  0.885619D+00
      5  -0.398863D+01  0.153983D+01  0.437810D+02 -0.607231D-01 -0.707528D+02
      6  -0.587466D+00  0.418662D+01  0.159221D+01  0.443244D+01 -0.206413D+01
               226           227           228           229           230 
      1   0.255503D+02 -0.190585D+02  0.939628D+01 -0.462432D+02  0.295382D+02
      2  -0.121355D+02  0.899207D+01 -0.502904D+01  0.224414D+02 -0.905568D+01
      3  -0.134148D+02  0.100665D+02 -0.436725D+01  0.238018D+02 -0.204825D+02
      4  -0.196181D+02  0.239373D+02 -0.654750D+01  0.414091D+02 -0.643395D+02
      5   0.108781D+02 -0.723673D+01  0.116305D+02 -0.143795D+02  0.228699D+02
      6  -0.229503D+01  0.177132D+01 -0.857700D+00  0.422028D+01 -0.661424D+01
               231           232           233           234           235 
      1  -0.870042D+01  0.211307D+02 -0.740895D+01  0.130510D+02  0.597348D+02
      2   0.535086D+01 -0.116747D+02  0.443847D+01 -0.937866D+01 -0.289687D+02
      3   0.334957D+01 -0.945604D+01  0.297048D+01 -0.367229D+01 -0.307660D+02
      4   0.215524D+02 -0.113040D+02  0.242915D+02 -0.132996D+02  0.319180D+02
      5  -0.199561D+02  0.205781D+02 -0.144364D+02  0.126492D+02  0.237077D+02
      6   0.573287D+01 -0.223996D+01  0.600716D+01 -0.401515D+01  0.491060D+01
               236           237           238           239           240 
      1   0.264051D+02  0.189156D+02  0.593469D+02  0.291012D+02  0.136473D+02
      2  -0.117788D+02 -0.101347D+02 -0.268987D+02 -0.846341D+01 -0.699520D+01
      3  -0.146264D+02 -0.878094D+01 -0.324482D+02 -0.206377D+02 -0.665210D+01
      4   0.279462D+02  0.118011D+02  0.452073D+02  0.409074D+02  0.207396D+02
      5   0.122067D+02  0.205621D+02  0.220301D+02  0.212061D+02  0.214589D+02
      6   0.287666D+01  0.274816D+01  0.658376D+01  0.668753D+01  0.632643D+01
               241           242           243           244           245 
      1   0.382571D+02  0.117613D+02  0.205651D+02  0.785127D+00  0.320776D+01
      2  -0.204567D+02 -0.560478D+01 -0.136447D+02 -0.406644D+01 -0.147204D+01
      3  -0.178005D+02 -0.615648D+01 -0.692038D+01  0.328131D+01 -0.173572D+01
      4   0.190823D+02  0.239364D+02  0.152678D+02  0.602788D+01  0.575440D+01
      5   0.322737D+02  0.157173D+02  0.201570D+02 -0.117325D+02 -0.138601D+01
      6   0.560916D+01  0.638842D+01  0.564210D+01 -0.361725D+01 -0.421624D+00
               246           247           248           249           250 
      1  -0.676844D+01  0.375362D+01  0.325514D+00  0.210047D+01 -0.970451D+01
      2   0.522609D+01 -0.161007D+01  0.230302D+00 -0.456852D+00  0.925419D+01
      3   0.154235D+01 -0.214355D+01 -0.555815D+00 -0.164362D+01  0.450326D+00
      4  -0.233574D+01  0.979725D+01  0.462304D+01 -0.710093D+01 -0.490473D+01
      5   0.122392D+02 -0.208085D+01 -0.717019D+01  0.903745D+01  0.174452D+02
      6   0.221026D+01 -0.163628D+01 -0.385916D+01  0.713731D+01  0.317209D+01
               251           252           253           254           255 
      1   0.255626D+01 -0.587710D+01 -0.844772D+02 -0.144694D+02  0.777215D+01
      2   0.339011D+00 -0.131555D+02  0.422279D+02  0.168258D+02 -0.514595D+01
      3  -0.289527D+01  0.190326D+02  0.422493D+02 -0.235643D+01 -0.262620D+01
      4  -0.116849D+02  0.962728D+01 -0.216248D+02  0.242067D+02  0.794540D+01
      5   0.830422D+01 -0.413712D+02  0.992661D+01  0.461736D+01  0.101081D+02
      6   0.657334D+01 -0.119735D+02  0.850068D+01  0.381837D+01  0.397181D+01
               256           257           258           259           260 
      1   0.904263D+01  0.357437D+02 -0.490929D+00  0.254314D+02 -0.232258D-01
      2   0.302887D+01 -0.363165D+02  0.352694D+00 -0.920440D+01  0.473564D+01
      3  -0.120715D+02  0.572790D+00  0.138235D+00 -0.162270D+02 -0.471241D+01
      4   0.339225D+02 -0.156285D+02  0.109279D+02  0.186611D+02  0.181757D+02
      5   0.100918D+02  0.140600D+02  0.124421D+02  0.150180D+02  0.104654D+02
      6   0.708927D+01  0.473891D+01  0.687093D+01  0.791445D+01  0.720421D+01
               261           262           263           264           265 
      1   0.127120D+02  0.521406D+01 -0.750539D+01 -0.173845D+01 -0.522704D+01
      2   0.611055D+01  0.320607D+01 -0.345987D+01 -0.216917D+00 -0.827426D+01
      3  -0.188225D+02 -0.842013D+01  0.109653D+02  0.195537D+01  0.135013D+02
      4   0.138233D+02 -0.152022D+02  0.223252D+02  0.476120D+01  0.283664D+02
      5  -0.278832D+02 -0.546209D+01  0.602639D+01  0.447511D+01  0.736491D+01
      6  -0.893232D+01  0.363225D+01 -0.430383D+01 -0.180875D+01 -0.580398D+01
               266           267           268           269           270 
      1  -0.117342D+02 -0.353333D+01  0.670645D+00 -0.320306D-01 -0.173550D+01
      2   0.408996D+02  0.560162D+01  0.268509D+01 -0.787701D+01  0.151759D+01
      3  -0.291654D+02 -0.206829D+01 -0.335573D+01  0.790904D+01  0.217908D+00
      4  -0.685934D+02 -0.136627D+02 -0.487892D+01  0.113920D+02 -0.336247D+01
      5  -0.160146D+02 -0.128216D+02  0.194925D+01 -0.314603D+01 -0.317854D+01
      6   0.180368D+02  0.945771D+01 -0.121439D+01  0.401815D+01  0.202759D+01
               271           272           273           274           275 
      1   0.128710D+03  0.147636D+02 -0.382756D+01 -0.219308D+01  0.630646D+01
      2  -0.595884D+02 -0.240151D+01  0.134813D+01  0.409942D+01  0.385042D+00
      3  -0.691217D+02 -0.123621D+02  0.247943D+01 -0.190634D+01 -0.669150D+01
      4   0.508756D+02  0.224800D+02  0.224762D+00  0.130323D+02  0.695794D+01
      5   0.451296D+01  0.155163D+01  0.139352D+02 -0.558927D+00 -0.159298D+01
      6  -0.718803D+00  0.142859D+01  0.448172D+01  0.980596D-01 -0.259128D-01
               276           277           278           279           280 
      1   0.188871D+00 -0.169197D+02 -0.174758D+01  0.895297D+01  0.201525D+00
      2  -0.292308D+00  0.720246D+01 -0.673184D+00 -0.647862D+01  0.277162D+01
      3   0.103437D+00  0.971721D+01  0.242077D+01 -0.247435D+01 -0.297314D+01
      4  -0.174363D+01 -0.826164D+01 -0.581157D+01  0.282050D+01  0.308701D+01
      5  -0.978533D+00  0.133144D+02  0.101209D+01 -0.410061D+00 -0.226372D+01
      6   0.262659D+00  0.370359D+01  0.103164D+01 -0.149113D+00 -0.100623D+01
               281           282           283           284           285 
      1   0.146302D+02 -0.114062D+01  0.123518D+02 -0.330940D+02 -0.302088D+00
      2  -0.160795D+02  0.937133D+00 -0.552096D+01  0.540650D+02 -0.805772D+00
      3   0.144935D+01  0.203490D+00 -0.683081D+01 -0.209710D+02  0.110786D+01
      4  -0.930746D+01 -0.197269D+01  0.993693D+01  0.519501D+02 -0.274670D+00
      5  -0.146541D+00 -0.292295D+01  0.157558D+01 -0.283670D+01  0.640101D+01
      6  -0.147476D+01 -0.260731D+01 -0.138826D+00  0.427727D+01  0.713460D+01
               286           287           288           289           290 
      1  -0.538045D+01  0.222032D+01 -0.549464D+01  0.655937D+01  0.160752D+01
      2   0.167786D+01 -0.568547D+01  0.418161D+01 -0.592011D+01 -0.216376D+01
      3   0.370259D+01  0.346515D+01  0.131303D+01 -0.639258D+00  0.556243D+00
      4  -0.437899D+01 -0.946108D+01  0.335316D+01  0.399100D+00 -0.284652D+01
      5   0.446327D+00  0.450037D+01  0.451497D+00  0.329726D+01 -0.122638D+01
      6  -0.446441D+00  0.647272D+01 -0.546455D+00  0.362082D-01 -0.145468D+01
               291           292           293           294           295 
      1   0.546829D+01 -0.545930D+01 -0.584064D+01 -0.451690D+00  0.124086D+02
      2  -0.218471D+01  0.221782D+01  0.355174D+01  0.290927D+01 -0.742370D+01
      3  -0.328358D+01  0.324148D+01  0.228890D+01 -0.245758D+01 -0.498493D+01
      4   0.142235D-01 -0.335909D+01 -0.244755D+01  0.186028D+01  0.735566D+01
      5   0.482258D+00 -0.251983D+01  0.164766D+01 -0.555017D+01  0.108924D+02
      6  -0.104213D+01 -0.848650D+00  0.327545D-01  0.132842D+01  0.240323D+01
               296           297 
      1  -0.122597D+01 -0.117422D+02
      2   0.367009D+01 -0.132794D+02
      3  -0.244412D+01  0.250216D+02
      4   0.112050D+02  0.125552D+01
      5   0.228172D+01  0.451131D+02
      6   0.519304D+01  0.180941D+02
 Leave Link  716 at Wed Sep 29 15:29:19 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228113D+03 -0.178319D+01  0.194472D+01
      2  -0.178319D+01  0.143366D+03 -0.721663D+01
      3   0.194472D+01 -0.721663D+01  0.153466D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.811475D+01 -0.839735D+01  0.224711D+02
      2  -0.132875D+00 -0.820306D+01  0.360063D+02
      3  -0.105840D+03 -0.408018D+02  0.138490D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.261264D+03  0.389601D+02 -0.237712D+02
      2  -0.140665D+03 -0.198805D+02  0.429010D+02
      3  -0.120598D+03 -0.190796D+02 -0.191298D+02
      4  -0.383042D+02  0.728317D+02 -0.176760D+02
      5  -0.261457D+02 -0.238929D+02  0.747747D+02
      6  -0.844319D+00  0.231116D+02 -0.342788D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.118625D+02 -0.119985D+00  0.802436D+00  0.584621D+01  0.216812D+01
      2  -0.119985D+00  0.124599D+01  0.510001D-01  0.216812D+01  0.197271D+01
      3   0.802436D+00  0.510001D-01  0.116801D+01 -0.165149D+00 -0.274174D+01
                 6             7             8             9            10 
      1  -0.165149D+00 -0.101766D+02  0.274467D+00 -0.518785D+00  0.325006D+02
      2  -0.274174D+01  0.274467D+00 -0.116949D+01 -0.113689D+01  0.155341D+01
      3  -0.219209D+01 -0.518785D+00 -0.113689D+01 -0.166101D+01 -0.120038D+01
                11            12            13            14            15 
      1   0.155341D+01 -0.120038D+01 -0.533953D+00  0.451441D+01  0.120703D+01
      2   0.193945D+01 -0.778512D+00  0.451441D+01 -0.781242D+00 -0.161165D+00
      3  -0.778512D+00  0.292183D+01  0.120703D+01 -0.161165D+00 -0.816022D+00
                16            17            18            19            20 
      1  -0.414490D+01  0.144465D+01  0.137435D+01  0.852462D+01 -0.102441D-01
      2   0.144465D+01  0.168335D+00 -0.687200D+00 -0.102441D-01 -0.123706D+01
      3   0.137435D+01 -0.687200D+00 -0.618259D+00 -0.784331D+00 -0.381450D+00
                21            22            23            24            25 
      1  -0.784331D+00  0.424406D+01 -0.138750D+01 -0.109453D+01 -0.133626D+02
      2  -0.381450D+00 -0.138750D+01  0.237680D+01 -0.224181D+01 -0.153645D+00
      3  -0.288248D+01 -0.109453D+01 -0.224181D+01 -0.124685D+01  0.670942D+00
                26            27            28            29            30 
      1  -0.153645D+00  0.670942D+00 -0.296148D+02 -0.525530D+00  0.120086D+01
      2  -0.705275D+00 -0.765759D+00 -0.525530D+00 -0.146327D+01  0.297181D+00
      3  -0.765759D+00 -0.158817D+01  0.120086D+01  0.297181D+00 -0.267229D+01
                31            32            33            34            35 
      1   0.225809D+01 -0.502131D+01 -0.133147D+01  0.276818D+01 -0.124779D+01
      2  -0.502131D+01  0.645897D+00  0.379546D+00 -0.124779D+01 -0.163321D+00
      3  -0.133147D+01  0.379546D+00  0.159908D-01 -0.960364D+00 -0.790867D+00
                36            37            38            39            40 
      1  -0.960364D+00  0.132033D+02 -0.458748D+00 -0.845643D+00 -0.362661D+01
      2  -0.790867D+00 -0.458748D+00 -0.220923D+01  0.119223D+01 -0.177825D+01
      3   0.103964D+01 -0.845643D+00  0.119223D+01 -0.186977D+01 -0.242223D+00
                41            42            43            44            45 
      1  -0.177825D+01 -0.242223D+00  0.113480D+02 -0.185897D+01  0.614230D+00
      2  -0.267916D+01  0.249797D+01 -0.185897D+01  0.124354D+01  0.131279D+01
      3   0.249797D+01  0.201759D+01  0.614230D+00  0.131279D+01  0.129444D+01
                46            47            48            49            50 
      1  -0.962745D+01  0.572306D+00  0.471096D+00 -0.291603D+01  0.989376D+00
      2   0.572306D+00  0.165903D+01 -0.606571D+00  0.989376D+00 -0.336219D+01
      3   0.471096D+00 -0.606571D+00  0.310389D+01  0.156747D+01  0.210483D+01
                51            52            53            54            55 
      1   0.156747D+01  0.130246D+02  0.142644D+01 -0.117006D+01 -0.172210D+02
      2   0.210483D+01  0.142644D+01 -0.128001D+00  0.142674D+01 -0.194926D+01
      3   0.117618D+01 -0.117006D+01  0.142674D+01  0.825571D+00 -0.115440D+00
                56            57            58            59            60 
      1  -0.194926D+01 -0.115440D+00 -0.554040D+01 -0.694154D+01 -0.325205D+00
      2  -0.340016D+01 -0.226019D-01 -0.694154D+01  0.285041D+01 -0.155065D+01
      3  -0.226019D-01 -0.141397D+01 -0.325205D+00 -0.155065D+01  0.101822D+00
                61            62            63            64            65 
      1  -0.553921D+01 -0.106365D+01 -0.294973D+01  0.392685D+00  0.289735D+01
      2  -0.106365D+01 -0.282752D+01  0.697349D+00  0.289735D+01  0.368386D+01
      3  -0.294973D+01  0.697349D+00  0.564090D+01 -0.178556D+00  0.357682D+00
                66            67            68            69            70 
      1  -0.178556D+00  0.112249D+02  0.636238D+01  0.642895D+00  0.564514D+01
      2   0.357682D+00  0.636238D+01 -0.169788D+01  0.183803D+01  0.114936D+01
      3   0.245385D+01  0.642895D+00  0.183803D+01  0.572396D+00  0.375998D+01
                71            72            73            74            75 
      1   0.114936D+01  0.375998D+01  0.594401D+01 -0.256226D+01 -0.119084D+01
      2   0.267421D+01  0.641736D+00 -0.256226D+01 -0.336317D+01 -0.758399D+00
      3   0.641736D+00 -0.766935D+01 -0.119084D+01 -0.758399D+00 -0.186934D+01
                76            77            78            79            80 
      1  -0.403174D+01 -0.394649D+01 -0.953538D+00 -0.222123D+01 -0.944801D+00
      2  -0.394649D+01 -0.598858D+00 -0.269705D+01 -0.944801D+00 -0.366828D+01
      3  -0.953538D+00 -0.269705D+01 -0.129642D+01 -0.269772D+01 -0.209753D+01
                81            82            83            84            85 
      1  -0.269772D+01  0.426899D+01 -0.175519D+01 -0.510184D+00 -0.375728D+01
      2  -0.209753D+01 -0.175519D+01 -0.361209D+01 -0.567895D+00 -0.561342D+01
      3   0.553455D+01 -0.510184D+00 -0.567895D+00 -0.295538D+01 -0.867144D+00
                86            87            88            89            90 
      1  -0.561342D+01 -0.867144D+00 -0.186292D+01 -0.914040D+00 -0.459452D+01
      2   0.230251D+01 -0.371947D+01 -0.914040D+00 -0.379757D+01 -0.336362D+00
      3  -0.371947D+01 -0.484902D+00 -0.459452D+01 -0.336362D+00  0.466857D+01
                91            92            93            94            95 
      1   0.583208D+01  0.217357D+01  0.137663D+00 -0.106821D+01  0.572815D+01
      2   0.217357D+01  0.178421D+01  0.959012D+00  0.572815D+01 -0.354338D+01
      3   0.137663D+00  0.959012D+00  0.129697D+01  0.170837D+01 -0.116885D+00
                96            97            98            99           100 
      1   0.170837D+01  0.330130D+01  0.174389D+01  0.174523D+01  0.277284D+01
      2  -0.116885D+00  0.174389D+01  0.165652D+01  0.178985D+01 -0.187398D+01
      3   0.140999D+01  0.174523D+01  0.178985D+01 -0.438569D+01  0.155695D+01
               101           102           103           104           105 
      1  -0.187398D+01  0.155695D+01 -0.124146D+01 -0.109144D+01 -0.121476D+01
      2   0.459547D+00 -0.829584D+00 -0.109144D+01  0.373500D+01 -0.275336D+00
      3  -0.829584D+00  0.480455D+00 -0.121476D+01 -0.275336D+00 -0.207831D+01
               106           107           108           109           110 
      1   0.272266D+01 -0.293467D+01  0.153416D+01 -0.542958D+01  0.209548D+01
      2  -0.293467D+01  0.285193D+01 -0.257071D+01  0.209548D+01 -0.157999D+01
      3   0.153416D+01 -0.257071D+01  0.270526D+01 -0.358041D+01  0.654187D+00
               111           112           113           114           115 
      1  -0.358041D+01  0.294744D+01 -0.226682D+01  0.125592D+01 -0.803938D+01
      2   0.654187D+00 -0.226682D+01  0.241324D+01 -0.204440D+01  0.315992D+01
      3  -0.187994D+01  0.125592D+01 -0.204440D+01  0.219517D+01 -0.329572D+01
               116           117           118           119           120 
      1   0.315992D+01 -0.329572D+01  0.884922D+00  0.763545D-01  0.134090D+01
      2  -0.489342D+01  0.208223D+01  0.763545D-01  0.231789D+01  0.457616D+00
      3   0.208223D+01 -0.748523D+01  0.134090D+01  0.457616D+00  0.236088D+00
               121           122           123           124           125 
      1  -0.135307D+00  0.250984D+01  0.144125D+00  0.355144D+01 -0.113787D+01
      2   0.250984D+01 -0.639702D+01  0.831671D+00 -0.113787D+01  0.259703D+01
      3   0.144125D+00  0.831671D+00  0.323696D+00 -0.126199D+01  0.282373D+01
               126           127           128           129           130 
      1  -0.126199D+01  0.205298D+01  0.614192D+00 -0.196374D+01  0.323057D+00
      2   0.282373D+01  0.614192D+00  0.321983D+00 -0.410327D+00  0.125853D+00
      3   0.490240D+01 -0.196374D+01 -0.410327D+00  0.215752D+01 -0.663862D+00
               131           132           133           134           135 
      1   0.125853D+00 -0.663862D+00 -0.246974D+01 -0.895215D+00  0.264607D+01
      2   0.435733D+00 -0.633833D+00 -0.895215D+00 -0.129798D+01  0.163494D+01
      3  -0.633833D+00  0.220684D+01  0.264607D+01  0.163494D+01 -0.721656D+01
               136           137           138           139           140 
      1  -0.379206D+01  0.102531D+01 -0.184405D+01  0.163185D+01 -0.544436D+00
      2   0.102531D+01 -0.787605D+00  0.575120D+00 -0.544436D+00  0.637861D+00
      3  -0.184405D+01  0.575120D+00 -0.183948D+01  0.110133D+01 -0.611444D+00
               141           142           143           144           145 
      1   0.110133D+01 -0.252402D+01  0.880161D+00 -0.249530D+01 -0.218557D+01
      2  -0.611444D+00  0.880161D+00 -0.128386D+01  0.137382D+01 -0.669140D+00
      3   0.172553D+01 -0.249530D+01  0.137382D+01 -0.453532D+01  0.207926D+01
               146           147           148           149           150 
      1  -0.669140D+00  0.207926D+01 -0.538462D+00 -0.163104D+00  0.740863D+00
      2  -0.412632D+00  0.678824D+00 -0.163104D+00 -0.673036D+00  0.877751D+00
      3   0.678824D+00 -0.227465D+01  0.740863D+00  0.877751D+00 -0.236069D+01
               151           152           153           154           155 
      1   0.224192D+01  0.106078D+01 -0.271294D+01  0.375554D+01 -0.112830D+01
      2   0.106078D+01  0.171605D+01 -0.240202D+01 -0.112830D+01  0.102652D+01
      3  -0.271294D+01 -0.240202D+01  0.749992D+01  0.250052D+01 -0.115496D+01
               156           157           158           159           160 
      1   0.250052D+01 -0.197577D+01  0.760892D+00 -0.140345D+01  0.283212D+01
      2  -0.115496D+01  0.760892D+00 -0.945938D+00  0.936172D+00 -0.126814D+01
      3   0.238015D+01 -0.140345D+01  0.936172D+00 -0.207661D+01  0.290394D+01
               161           162           163           164           165 
      1  -0.126814D+01  0.290394D+01  0.108461D+01 -0.434200D-01 -0.142030D+01
      2   0.175853D+01 -0.213663D+01 -0.434200D-01  0.769860D+00  0.297025D+00
      3  -0.213663D+01  0.509837D+01 -0.142030D+01  0.297025D+00  0.139118D+01
               166           167           168           169           170 
      1   0.177950D+01  0.113923D+01 -0.115791D+00 -0.404209D+01  0.893422D-01
      2   0.113923D+01 -0.403147D+00 -0.653602D+00  0.893422D-01 -0.130684D+01
      3  -0.115791D+00 -0.653602D+00  0.187052D+00  0.240581D+01 -0.121965D+01
               171           172           173           174           175 
      1   0.240581D+01  0.429949D+01 -0.180048D+01  0.606355D+00 -0.443912D+01
      2  -0.121965D+01 -0.180048D+01  0.236530D+01 -0.495344D-01  0.345861D+01
      3  -0.631854D+01  0.606355D+00 -0.495344D-01  0.403348D+00 -0.194914D+00
               176           177           178           179           180 
      1   0.345861D+01 -0.194914D+00  0.511904D+01 -0.454237D+00  0.101715D+01
      2  -0.668699D+01  0.793559D+00 -0.454237D+00  0.208284D+01 -0.104707D+01
      3   0.793559D+00 -0.842367D+00  0.101715D+01 -0.104707D+01  0.273768D+00
               181           182           183           184           185 
      1  -0.836492D+00 -0.814612D+00  0.117746D+01 -0.167539D+01 -0.818024D+00
      2  -0.814612D+00 -0.847929D+00 -0.641985D-01 -0.818024D+00  0.184001D+00
      3   0.117746D+01 -0.641985D-01 -0.974508D+00  0.101409D+00  0.653986D+00
               186           187           188           189           190 
      1   0.101409D+00  0.252506D+01  0.196121D+00 -0.582217D+00 -0.868531D+01
      2   0.653986D+00  0.196121D+00  0.120284D+01 -0.515241D-01  0.575941D+00
      3  -0.536942D-01 -0.582217D+00 -0.515241D-01  0.725607D+01  0.460552D+00
               191           192           193           194           195 
      1   0.575941D+00  0.460552D+00  0.234362D+00 -0.127726D+01  0.634647D-01
      2  -0.251611D+01  0.730541D-01 -0.127726D+01  0.795996D+00  0.317469D+00
      3   0.730541D-01 -0.721934D+00  0.634647D-01  0.317469D+00  0.452499D+00
               196           197           198           199           200 
      1   0.539651D+00 -0.125481D+00 -0.241333D+00  0.375424D+00  0.630434D+00
      2  -0.125481D+00  0.606822D+00  0.610958D+00  0.630434D+00  0.939189D+00
      3  -0.241333D+00  0.610958D+00 -0.284589D+00 -0.938886D+00 -0.290317D+00
               201           202           203           204           205 
      1  -0.938886D+00  0.290181D+00  0.537911D+00 -0.474374D-01 -0.198255D+01
      2  -0.290317D+00  0.537911D+00  0.846691D+00 -0.637088D+00 -0.590517D+00
      3   0.137594D+01 -0.474374D-01 -0.637088D+00  0.531339D+00  0.148969D+01
               206           207           208           209           210 
      1  -0.590517D+00  0.148969D+01  0.244502D+01  0.263788D+01  0.912117D+00
      2  -0.219892D+01  0.197714D+01  0.263788D+01  0.347640D+01  0.751627D+00
      3   0.197714D+01 -0.670902D+01  0.912117D+00  0.751627D+00  0.102335D+01
               211           212           213           214           215 
      1   0.246698D+01  0.330892D+01  0.880573D+00  0.199856D+01  0.156490D+01
      2   0.330892D+01  0.680510D+01  0.188934D+01  0.156490D+01  0.350548D+01
      3   0.880573D+00  0.188934D+01  0.143360D+01  0.125051D+01  0.184744D+01
               216           217           218           219           220 
      1   0.125051D+01  0.204420D+01  0.116839D+00 -0.143067D+01  0.422034D+00
      2   0.184744D+01  0.116839D+00  0.643888D+00  0.629092D-01  0.115332D+01
      3   0.111152D+01 -0.143067D+01  0.629092D-01  0.166297D+01 -0.170617D-01
               221           222           223           224           225 
      1   0.115332D+01 -0.170617D-01 -0.478300D+01  0.106952D+00  0.341116D+01
      2  -0.161149D+00 -0.395565D+00  0.106952D+00 -0.109182D+01 -0.258003D-01
      3  -0.395565D+00  0.151330D+00  0.341116D+01 -0.258003D-01 -0.612456D+01
               226           227           228           229           230 
      1   0.194330D+01 -0.163509D+01  0.802131D+00 -0.426397D+01  0.338960D+01
      2  -0.163509D+01  0.179867D+01 -0.505683D+00  0.338960D+01 -0.583575D+01
      3   0.802131D+00 -0.505683D+00  0.867543D+00 -0.106555D+01  0.192576D+01
               231           232           233           234           235 
      1  -0.106555D+01  0.200934D+01 -0.936887D+00  0.162508D+01  0.492092D+01
      2   0.192576D+01 -0.936887D+00  0.221223D+01 -0.124806D+01  0.239610D+01
      3  -0.162742D+01  0.162508D+01 -0.124806D+01  0.108627D+01  0.171709D+01
               236           237           238           239           240 
      1   0.239610D+01  0.171709D+01  0.591059D+01  0.355716D+01  0.164959D+01
      2   0.202625D+01  0.913986D+00  0.355716D+01  0.340850D+01  0.176675D+01
      3   0.913986D+00  0.142822D+01  0.164959D+01  0.176675D+01  0.169773D+01
               241           242           243           244           245 
      1   0.384041D+01  0.150121D+01  0.248705D+01  0.433612D+00 -0.844672D+00
      2   0.150121D+01  0.204985D+01  0.130005D+01 -0.844672D+00 -0.519951D+00
      3   0.248705D+01  0.130005D+01  0.161056D+01  0.131569D+01  0.761445D-01
               246           247           248           249           250 
      1   0.131569D+01 -0.125387D+01 -0.104692D+01  0.185155D+00  0.288407D+01
      2   0.761445D-01 -0.104692D+01 -0.627014D+00  0.107990D+01  0.256156D+00
      3  -0.113513D+01  0.185155D+00  0.107990D+01 -0.126325D+01 -0.190689D+01
               251           252           253           254           255 
      1   0.256156D+00 -0.190689D+01  0.825218D+01  0.217548D-01 -0.162868D+01
      2   0.163459D+01 -0.114193D+01  0.217548D-01 -0.344917D+01 -0.702970D+00
      3  -0.114193D+01  0.602599D+01 -0.162868D+01 -0.702970D+00 -0.997438D+00
               256           257           258           259           260 
      1  -0.441598D+01 -0.374075D+01 -0.113582D+01 -0.609572D+01 -0.135397D+01
      2  -0.374075D+01  0.384272D+01 -0.130231D+01 -0.135397D+01 -0.240419D+01
      3  -0.113582D+01 -0.130231D+01 -0.171416D+01 -0.144320D+01 -0.124231D+01
               261           262           263           264           265 
      1  -0.144320D+01 -0.119150D+01  0.163918D+01  0.585812D+00  0.191011D+01
      2  -0.124231D+01  0.163918D+01 -0.227084D+01 -0.555947D+00 -0.320446D+01
      3   0.386635D+01  0.585812D+00 -0.555947D+00 -0.509546D+00 -0.661170D+00
               266           267           268           269           270 
      1  -0.320446D+01 -0.661170D+00 -0.283513D+00  0.613315D+00 -0.223523D+00
      2   0.100197D+02  0.201251D+01  0.613315D+00 -0.153441D+01  0.534014D+00
      3   0.201251D+01  0.189036D+01 -0.223523D+00  0.534014D+00  0.526236D+00
               271           272           273           274           275 
      1  -0.152340D+02 -0.234393D+01  0.136693D+00  0.340616D+00 -0.103437D+01
      2  -0.234393D+01 -0.165138D+01 -0.163376D+00 -0.103437D+01 -0.605847D+00
      3   0.136693D+00 -0.163376D+00 -0.114070D+01  0.941502D-01  0.186308D+00
               276           277           278           279           280 
      1   0.941502D-01  0.230210D+01  0.508172D+00 -0.113539D+01  0.139080D+00
      2   0.186308D+00  0.508172D+00  0.667586D+00 -0.779836D-01 -0.722947D+00
      3   0.211248D+00 -0.113539D+01 -0.779836D-01  0.748086D-02  0.307663D+00
               281           282           283           284           285 
      1  -0.722947D+00  0.307663D+00 -0.162112D+01 -0.178843D+00 -0.384871D-01
      2   0.236887D+01  0.232453D+00 -0.178843D+00 -0.844459D+01  0.100935D-01
      3   0.232453D+00  0.450251D+00 -0.384871D-01  0.100935D-01 -0.982573D+00
               286           287           288           289           290 
      1   0.105291D+01  0.323581D+00  0.400889D-01 -0.390130D+00  0.231676D+00
      2   0.323581D+00  0.138105D+01 -0.720481D+00  0.231676D+00  0.493661D+00
      3   0.400889D-01 -0.720481D+00 -0.904107D-01 -0.479155D+00  0.212276D+00
               291           292           293           294           295 
      1  -0.479155D+00  0.120473D+01  0.351146D+00  0.195213D+00 -0.217891D+01
      2   0.212276D+00  0.351146D+00  0.170372D+00 -0.319317D+00 -0.419536D+00
      3   0.334992D+00  0.195213D+00 -0.319317D+00  0.734967D+00 -0.785753D+00
               296           297 
      1  -0.419536D+00 -0.785753D+00
      2  -0.153854D+01 -0.353992D+00
      3  -0.353992D+00 -0.628716D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124165D+01 -0.232913D+01  0.115004D+01 -0.705632D+01 -0.231857D+01
      2   0.278567D+01 -0.208406D+01  0.893801D+01 -0.226605D+01  0.154735D+01
      3   0.165739D+02 -0.168566D+01  0.273969D+01  0.852382D+01 -0.170064D+01
                 6             7             8             9            10 
      1  -0.223501D+01 -0.163656D+01  0.171195D+01  0.282942D-01 -0.133248D+01
      2  -0.315348D+01 -0.434195D+01 -0.110094D+01  0.248076D+01  0.171465D+00
      3   0.229100D+01  0.142039D+02  0.321659D+00  0.277275D+01 -0.316717D+02
                11            12            13            14            15 
      1   0.366285D+00  0.163453D+01  0.227003D+01  0.435697D+01 -0.856812D+01
      2   0.550826D+00 -0.438291D+01  0.488288D+01  0.218814D+00  0.636339D+00
      3  -0.504686D+00  0.935009D+00  0.115158D+02 -0.144345D+01 -0.473348D+00
                16            17            18            19            20 
      1  -0.326422D+01 -0.184154D+01 -0.499945D+01 -0.705204D-01  0.153464D+01
      2  -0.254128D+02 -0.175451D+01 -0.271065D+01 -0.378859D+01 -0.200234D+01
      3  -0.864759D+00 -0.163755D+01 -0.148473D+01 -0.100476D+02 -0.177323D+01
                21            22            23            24            25 
      1  -0.119284D+01  0.579437D+01 -0.165544D+01 -0.340597D+01  0.482826D+01
      2   0.295923D+01 -0.423583D+01 -0.182959D+01  0.105920D+01 -0.126814D+01
      3   0.221669D+01  0.816155D+01  0.127898D+01 -0.266015D+01  0.173191D+02
                26            27            28            29            30 
      1   0.149400D+01 -0.166270D+01  0.156085D+01  0.629151D+00 -0.279359D+01
      2   0.735976D+00 -0.138778D+01  0.774647D+00  0.204443D+01 -0.419287D+01
      3  -0.913564D+00 -0.437675D+01  0.285739D+02  0.137416D+01 -0.265433D+01
                31            32            33            34            35 
      1  -0.169757D+01  0.447950D+01 -0.887025D+01 -0.513064D+01 -0.937307D+00
      2   0.467893D+01 -0.123490D+00  0.226864D+01 -0.267901D+02  0.335621D+01
      3   0.898917D+01  0.564128D+01  0.827861D+00 -0.629850D+01 -0.202491D+01
                36            37            38            39            40 
      1  -0.329487D+01 -0.228045D+01 -0.103780D+01 -0.117433D+01 -0.603970D+01
      2  -0.151668D+01  0.693731D+00 -0.239503D+01  0.822614D+01 -0.332461D+01
      3   0.197461D+01 -0.134793D+02 -0.756294D+00  0.289841D+01  0.136601D+02
                41            42            43            44            45 
      1   0.126284D+01  0.881515D+00 -0.205639D+01  0.341633D+01  0.228470D+01
      2   0.168534D+01 -0.200409D+01 -0.678137D+01 -0.864509D+00  0.249578D+01
      3  -0.503670D+00  0.241444D+01 -0.107219D+02  0.370457D+01  0.147168D+01
                46            47            48            49            50 
      1   0.118982D+01  0.148118D+01  0.259817D+01  0.874727D+01  0.138222D+01
      2  -0.258611D+01 -0.199320D+01  0.355552D+01 -0.411781D+01 -0.183525D+01
      3   0.126817D+02 -0.221827D+01 -0.675888D+00  0.138320D+02  0.125755D+01
                51            52            53            54            55 
      1  -0.250339D+01  0.267225D+01  0.341443D+01  0.506180D+00 -0.154194D+01
      2   0.107154D+01 -0.176555D+01  0.128552D+01 -0.189070D+01 -0.355718D+01
      3  -0.439586D+01 -0.103859D+02 -0.143868D+01 -0.115232D+01  0.171760D+02
                56            57            58            59            60 
      1  -0.124843D+00 -0.533137D+00 -0.448454D+00 -0.575685D+01 -0.658713D+00
      2   0.703859D+00 -0.293427D+00 -0.115529D+01 -0.100561D+02  0.179493D+01
      3   0.926533D+01  0.384511D-01  0.343275D+02 -0.193579D+01  0.544851D+01
                61            62            63            64            65 
      1   0.149804D+00  0.385569D+01  0.470646D+01  0.227834D+01  0.917829D+00
      2  -0.203638D+02  0.818677D+00  0.217490D+02  0.341800D+01  0.143064D+01
      3   0.905169D+01  0.101295D+02  0.130380D+01 -0.195907D+02 -0.190535D+02
                66            67            68            69            70 
      1  -0.166012D+01 -0.407606D+00 -0.139375D+01 -0.219096D+01  0.106037D+00
      2   0.126418D+02  0.455674D+01  0.936263D+01  0.448006D+00  0.129007D+02
      3  -0.167844D+01 -0.258608D+02  0.601048D+01 -0.760340D+01 -0.997770D+01
                71            72            73            74            75 
      1   0.413800D+01  0.439104D+01  0.236574D+01  0.239861D+01  0.472690D+01
      2   0.356440D+01 -0.349957D+02 -0.110881D+01 -0.439439D+01 -0.470471D+01
      3  -0.113410D+02 -0.277360D+01  0.265193D+02  0.284032D+01  0.809086D+00
                76            77            78            79            80 
      1   0.335591D+01  0.918065D+01  0.231824D+01  0.686173D+01  0.844112D+01
      2  -0.564540D+01 -0.100328D+02 -0.465335D+01 -0.116671D+02 -0.733039D+01
      3   0.965643D+01 -0.534186D+01  0.761767D+01  0.129993D+01  0.104386D+02
                81            82            83            84            85 
      1  -0.119303D+02 -0.340927D+00 -0.145541D+00  0.249922D+00  0.968637D-01
      2   0.189395D+02 -0.581437D+01 -0.254913D+01 -0.156156D+02 -0.413523D+01
      3   0.361036D+01  0.898657D+01  0.193002D+02  0.310965D+01  0.373061D+02
                86            87            88            89            90 
      1   0.106300D+01 -0.216477D+01  0.662183D+00  0.996768D+00 -0.113553D+01
      2  -0.211327D+02 -0.105126D+01 -0.305110D+02 -0.163807D+01  0.273335D+02
      3  -0.143413D+02  0.217580D+02  0.490291D+01  0.216535D+02  0.210742D+01
                91            92            93            94            95 
      1   0.394487D+00  0.525865D+00  0.227567D+01  0.192353D+01 -0.208366D+01
      2  -0.396893D+01 -0.346542D+01  0.978914D-01 -0.328391D+01 -0.268161D+01
      3  -0.439294D+01  0.142876D+00  0.326461D+01  0.334827D+02 -0.163619D+02
                96            97            98            99           100 
      1  -0.342047D+01  0.271906D+01  0.523359D+01 -0.134924D+01 -0.564895D+00
      2  -0.680811D+01 -0.154313D+02 -0.596491D+01  0.160140D+02  0.259719D+01
      3  -0.125939D+01  0.231632D+01  0.403939D+01  0.482841D+01  0.123012D+02
               101           102           103           104           105 
      1  -0.629532D+01 -0.588021D+01 -0.638600D-01  0.126517D+00  0.285592D+01
      2   0.315340D+01  0.455809D+01  0.137579D+01  0.322899D+01  0.149046D+02
      3  -0.127575D+02 -0.538741D+01 -0.835306D+01  0.345585D+01  0.121329D+01
               106           107           108           109           110 
      1  -0.660323D+01 -0.190555D+01 -0.418897D+01  0.429257D+01  0.324444D+01
      2  -0.397405D+01  0.100477D+02 -0.171101D+02  0.973816D+01 -0.243567D+01
      3  -0.123567D+02  0.171179D+02 -0.668698D+01 -0.521338D+00 -0.549481D+01
               111           112           113           114           115 
      1   0.419290D+01 -0.365069D+00 -0.360606D+00 -0.724608D+01  0.362707D+01
      2   0.918584D+01 -0.487672D+00  0.679293D+01 -0.113500D+02  0.412595D+01
      3   0.519097D+00 -0.413681D+01  0.116156D+02 -0.722769D+01  0.124193D+02
               116           117           118           119           120 
      1   0.646170D+01  0.114917D+02 -0.370070D+01  0.263676D+01  0.387341D-01
      2  -0.621538D+01  0.308630D+02 -0.607249D+01 -0.106688D+01  0.417061D+00
      3  -0.210261D+02  0.600058D+01 -0.881570D+00  0.759545D+01  0.448428D+01
               121           122           123           124           125 
      1   0.986790D+00 -0.461437D+01 -0.238305D+01 -0.185461D+01  0.769004D+01
      2  -0.251407D+01 -0.478308D+01 -0.205755D+01 -0.130378D+01 -0.850127D+01
      3   0.910279D+01 -0.170995D+02  0.303987D+01 -0.134822D+01  0.800863D+01
               126           127           128           129           130 
      1  -0.687276D+01 -0.180524D+01 -0.211794D+01  0.958519D+00 -0.147135D+00
      2  -0.161730D+02  0.467867D+01  0.873451D+00 -0.697648D+00  0.477320D+00
      3   0.908026D+01 -0.216102D+00 -0.992740D+00  0.881986D+00  0.109131D+01
               131           132           133           134           135 
      1  -0.138039D+01 -0.308112D+00  0.282172D+01  0.556334D+01 -0.461741D+01
      2  -0.433936D-01  0.565083D+00 -0.516442D+01 -0.464210D+00 -0.182629D+01
      3  -0.401004D+00  0.409716D+00  0.919299D+00  0.226954D+01 -0.151413D+01
               136           137           138           139           140 
      1  -0.244134D+01  0.322408D+01 -0.641397D+00  0.102827D+01 -0.132120D+01
      2  -0.855865D+01  0.172960D+01 -0.701085D+00  0.200437D+01 -0.613864D+00
      3   0.463261D+00 -0.163264D+01  0.815461D+00  0.591750D+00  0.123286D+01
               141           142           143           144           145 
      1  -0.698882D+00 -0.183616D+01  0.417463D+01 -0.253171D+01  0.171051D+01
      2   0.171501D-01 -0.443412D+01  0.481509D+00  0.110278D+01  0.448088D+01
      3  -0.408311D+00  0.704964D+00 -0.277863D+01  0.161103D+01  0.283360D+01
               146           147           148           149           150 
      1  -0.109074D+01 -0.226126D+01  0.107500D+01 -0.333253D-01 -0.360341D+01
      2   0.323806D+00 -0.647985D+00  0.546757D+00 -0.188492D+00  0.580485D+00
      3  -0.919923D-01 -0.188207D+01  0.191801D+01 -0.444789D+00 -0.511209D+00
               151           152           153           154           155 
      1  -0.160299D+01  0.265807D+01  0.547239D+01  0.247216D+01  0.156116D+01
      2  -0.471319D+01 -0.332324D+00 -0.129329D+01 -0.564745D+01  0.107722D+00
      3  -0.243504D+01  0.998713D+00  0.178738D+01 -0.515633D+01 -0.101683D+01
               156           157           158           159           160 
      1   0.230286D+01 -0.136835D+01  0.105217D+00 -0.379854D+01  0.230283D+01
      2  -0.220954D-01  0.120127D+01  0.148178D+00 -0.968079D+00 -0.333082D+01
      3  -0.208229D+01  0.421600D+01  0.777172D+00  0.853148D+00 -0.316737D+01
               161           162           163           164           165 
      1   0.176239D+01  0.405045D+01 -0.130909D+01 -0.734396D+00  0.111109D+01
      2  -0.124821D+00  0.209094D+01 -0.521300D+01  0.683685D+00  0.572965D+01
      3  -0.144118D+01 -0.186930D+01 -0.175757D+01 -0.367416D+01  0.496158D+00
               166           167           168           169           170 
      1   0.696230D-01 -0.330035D+00 -0.104358D+01  0.217712D+01  0.245695D+01
      2   0.588790D+00 -0.981933D+00  0.974701D+00  0.157074D+01 -0.402072D+01
      3  -0.306257D+01  0.327710D+00  0.163185D+01  0.352207D+01  0.465737D+01
               171           172           173           174           175 
      1  -0.640292D+01  0.975354D+00 -0.104556D+01  0.147838D+01 -0.151104D+01
      2  -0.206868D+02  0.493093D+01 -0.143841D+01  0.330117D+01 -0.271366D+01
      3   0.416416D+00  0.825927D+00 -0.747950D+01 -0.284444D+00 -0.347137D+01
               176           177           178           179           180 
      1   0.360586D+01 -0.362051D+01  0.153266D+01 -0.111445D+01  0.110954D+01
      2   0.557683D+01 -0.392073D+01  0.316367D+01 -0.394772D+01  0.671115D+00
      3   0.181393D+02 -0.186540D+01 -0.373260D+01 -0.675898D+01  0.184699D+01
               181           182           183           184           185 
      1  -0.258991D+01 -0.161802D+01  0.814114D+00 -0.113069D+01 -0.321312D+00
      2   0.765477D+01  0.789549D+00 -0.439966D+01  0.222711D+01  0.346462D+01
      3   0.272872D+01  0.263522D+01  0.365624D+00  0.531876D+01 -0.644792D+00
               186           187           188           189           190 
      1  -0.725651D+00  0.159096D+01  0.368013D+01 -0.390663D+01  0.353031D+00
      2  -0.813065D+00 -0.870594D+01 -0.110354D+01  0.297000D+02 -0.149860D+01
      3  -0.257394D+01 -0.244699D+00 -0.427244D+01 -0.177965D+00 -0.263558D+02
               191           192           193           194           195 
      1   0.652173D+00  0.254237D+01  0.253421D-01 -0.857913D+00 -0.123536D+01
      2   0.382103D+00 -0.515966D+00  0.436541D+00  0.739405D+00  0.358346D+00
      3   0.705688D+01  0.784170D+00  0.655508D+01 -0.393257D+01 -0.107931D+01
               196           197           198           199           200 
      1   0.213989D+01  0.608855D+00  0.667092D+00  0.202819D+01 -0.140257D+00
      2  -0.334457D+01  0.124424D+01 -0.957834D+00 -0.310484D+01 -0.113555D+01
      3   0.108077D+01 -0.217309D+01 -0.275204D+01 -0.250616D+01 -0.343263D+01
               201           202           203           204           205 
      1  -0.299064D+01  0.210617D+00  0.108354D+01 -0.240514D+01 -0.283201D+01
      2   0.519749D+01 -0.207787D+00 -0.177362D+01  0.115109D+01  0.441356D+00
      3  -0.127069D+00 -0.244575D+00 -0.176311D+01  0.177000D+01 -0.235402D+01
               206           207           208           209           210 
      1  -0.461029D-01  0.150551D+02 -0.261860D+01 -0.225593D+01 -0.407688D+01
      2   0.622783D+01 -0.225202D+02  0.345517D+01  0.319121D+01  0.493623D+01
      3   0.778200D+01 -0.523172D+01 -0.460284D+01 -0.973608D+01 -0.849199D+00
               211           212           213           214           215 
      1  -0.346097D+01 -0.556622D+01 -0.610888D+01 -0.345293D+01 -0.324660D+01
      2   0.322612D+01  0.734528D+01  0.623847D+01  0.341044D+01  0.677571D+01
      3  -0.293267D+01 -0.188594D+02 -0.472763D+01 -0.774895D+00 -0.104576D+02
               216           217           218           219           220 
      1  -0.347332D+01  0.225101D+00 -0.426127D+00 -0.260149D-01  0.104644D+00
      2   0.424182D+01 -0.865744D+01  0.274748D+00  0.111284D+02 -0.855093D-01
      3  -0.447334D+01 -0.589392D+00 -0.458095D+01 -0.351205D+00 -0.457165D+01
               221           222           223           224           225 
      1   0.345880D-01 -0.935997D+00 -0.598772D+00  0.270401D+01  0.936493D+00
      2  -0.201982D+01  0.757088D+00  0.158371D+02 -0.809680D-01 -0.361080D+02
      3   0.941022D+00  0.170991D+01 -0.729240D+00  0.705343D+01 -0.198661D+00
               226           227           228           229           230 
      1  -0.672105D+00  0.709334D+00  0.471235D+00  0.766778D+00 -0.241054D+01
      2   0.407834D+01 -0.244734D+01  0.544309D+01 -0.408138D+01  0.103694D+02
      3   0.894631D+01 -0.112986D+02  0.293122D+01 -0.147930D+02  0.333468D+02
               231           232           233           234           235 
      1  -0.182738D+01 -0.231483D+00  0.185904D+01  0.238293D+00  0.258791D+00
      2  -0.101843D+02  0.661936D+01 -0.673157D+01  0.552943D+01  0.797457D+01
      3  -0.107810D+02  0.442748D+01 -0.129442D+02  0.651146D+01 -0.120044D+02
               236           237           238           239           240 
      1   0.844020D+00 -0.966561D+00  0.229224D+00  0.117611D+01 -0.170846D+01
      2   0.442183D+01  0.972992D+01  0.696573D+01  0.918602D+01  0.104624D+02
      3  -0.134486D+02 -0.504020D+01 -0.164282D+02 -0.199011D+02 -0.984846D+01
               241           242           243           244           245 
      1  -0.648384D+00  0.159976D+01 -0.735344D+00  0.283416D+00 -0.365088D+00
      2   0.111250D+02  0.685435D+01  0.857120D+01 -0.590093D+01  0.849746D-01
      3  -0.715280D+01 -0.124541D+02 -0.693805D+01 -0.283000D+01 -0.196257D+01
               246           247           248           249           250 
      1  -0.888668D+00 -0.448622D-02 -0.667509D-01 -0.116425D+01 -0.134094D+01
      2   0.392992D+01  0.388700D+00 -0.263476D+01  0.435814D+01  0.690666D+00
      3  -0.479639D+00 -0.726302D+00 -0.117519D+01  0.285257D+01 -0.136404D+01
               251           252           253           254           255 
      1   0.287967D+01  0.329735D+01 -0.207178D+01  0.122667D+01 -0.229835D+01
      2   0.387429D+01 -0.188637D+02  0.147710D+02  0.369298D+01  0.643937D+01
      3   0.433626D+01 -0.236975D+01 -0.151955D+02 -0.163701D+02  0.275529D-01
               256           257           258           259           260 
      1  -0.119071D+01 -0.613896D+01 -0.352293D+01 -0.963530D+00  0.120499D+01
      2   0.467484D+01  0.467281D+01  0.597219D+01  0.485434D+01  0.475434D+01
      3  -0.784654D+01  0.212627D+02 -0.384520D+01  0.143351D+01 -0.668198D+01
               261           262           263           264           265 
      1   0.938967D+01  0.700250D+00 -0.131154D+01  0.979395D+00 -0.278088D+01
      2  -0.190664D+02 -0.979197D+00  0.724883D+00  0.140537D+01  0.220045D+00
      3  -0.421739D+01  0.345324D+01 -0.555283D+01 -0.200819D+01 -0.516177D+01
               266           267           268           269           270 
      1   0.865966D+01 -0.266214D+01  0.284872D+00 -0.556911D+00  0.114275D+01
      2  -0.416559D+01 -0.620433D+01  0.303606D+00 -0.162685D+01 -0.110406D+01
      3   0.312615D+02  0.640860D+01  0.158494D+01 -0.562996D+01  0.156098D+01
               271           272           273           274           275 
      1   0.120296D+01  0.662852D+00 -0.253383D+01  0.797243D+00  0.670230D+00
      2  -0.786521D+01 -0.297309D+00  0.841537D+01 -0.895607D+00 -0.127427D+01
      3   0.144553D+02 -0.649181D+01 -0.110336D+01 -0.313495D+01 -0.911967D+00
               276           277           278           279           280 
      1  -0.228786D+00 -0.189247D+01  0.627881D+00 -0.118045D+00  0.142924D+01
      2  -0.448184D+00  0.409842D+01 -0.264785D-01 -0.725356D-01 -0.102051D+01
      3   0.812499D+00 -0.147754D+01  0.203927D+01  0.156904D+01 -0.506937D+01
               281           282           283           284           285 
      1  -0.896991D+00  0.184364D+01 -0.447213D+00  0.523512D+01 -0.440805D+01
      2  -0.991339D+00 -0.144205D+01 -0.882276D+00  0.150737D+00  0.330618D+01
      3   0.904813D+01 -0.170126D+00  0.557892D+01 -0.310692D+02  0.571571D+00
               286           287           288           289           290 
      1   0.727341D+00 -0.934106D+00  0.428881D+00 -0.162250D+01 -0.679832D+00
      2  -0.167355D+01  0.232353D+01  0.439730D+00  0.411156D+01 -0.760933D-01
      3  -0.134072D+01  0.447762D+01 -0.267477D+01  0.124146D+01  0.106466D+01
               291           292           293           294           295 
      1   0.549343D+00 -0.333890D+00 -0.220368D+01  0.865537D+00 -0.150158D+00
      2  -0.188795D+01  0.158015D+01  0.168097D+01 -0.330799D+01 -0.221789D+01
      3   0.106433D+01  0.950864D+00  0.390911D+00 -0.139645D+01  0.154041D+01
               296           297 
      1   0.363199D+01 -0.115849D+02
      2   0.376597D+00  0.250875D+02
      3  -0.505410D+01  0.438344D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.328897D+01 -0.713796D+01  0.197024D+02  0.182066D+02 -0.321843D+01
      2   0.702142D+01  0.320100D+01 -0.786880D+01 -0.466054D+01  0.424488D+01
      3  -0.373245D+01  0.393696D+01 -0.118336D+02 -0.135460D+02 -0.102645D+01
      4  -0.455893D+00  0.242024D+01 -0.822214D-01  0.906284D+01  0.479370D+01
      5   0.181203D+02  0.934254D+00 -0.724029D+01 -0.451851D+01 -0.246325D+01
      6  -0.169105D+00 -0.290784D+01  0.211312D+00 -0.678685D+00  0.372504D+01
                 6             7             8             9            10 
      1  -0.163384D+02 -0.253781D+02 -0.897195D+01  0.431048D+01  0.561644D+02
      2   0.108562D+01  0.410557D+01  0.136701D+01  0.432740D+01 -0.221100D+02
      3   0.152528D+02  0.212725D+02  0.760494D+01 -0.863787D+01 -0.340544D+02
      4  -0.402087D+01  0.434351D+01 -0.227098D+01 -0.468418D+01 -0.133536D+02
      5  -0.375133D+01  0.772994D+01 -0.425349D+01  0.675396D+01 -0.595150D+01
      6   0.122783D+02 -0.669087D+01  0.539100D+01  0.140409D+02  0.237793D+01
                11            12            13            14            15 
      1   0.749827D+01 -0.129620D+01  0.923250D+01 -0.445774D+00  0.565939D+01
      2  -0.667943D+01  0.333199D+01 -0.996841D+01  0.636856D+01 -0.886692D+00
      3  -0.818846D+00 -0.203579D+01  0.735905D+00 -0.592278D+01 -0.477270D+01
      4   0.574670D+00 -0.373696D+01  0.181903D+02 -0.569977D+01 -0.842349D+00
      5  -0.443490D+01  0.592341D+01  0.985646D+01 -0.718173D+00 -0.198677D+01
      6   0.432470D+00 -0.672385D+01 -0.489970D+01  0.398341D+01  0.844985D+01
                16            17            18            19            20 
      1  -0.885213D+01  0.572016D+01 -0.162735D+02  0.641150D+00  0.433943D+01
      2  -0.128002D-01  0.505038D+01  0.665514D+00 -0.247679D+01 -0.205326D+01
      3   0.886493D+01 -0.107705D+02  0.156080D+02  0.183564D+01 -0.228618D+01
      4   0.132736D+02  0.165647D+01 -0.235607D+01  0.274362D+01  0.260587D+00
      5  -0.113470D+02 -0.199094D+01 -0.514164D+01 -0.152854D+02  0.256215D+01
      6  -0.480321D+01  0.107769D+01 -0.470193D+01  0.324414D+01  0.461788D+01
                21            22            23            24            25 
      1  -0.245289D+02 -0.972177D+01 -0.545984D+01 -0.600380D+01  0.242002D+02
      2   0.672595D+01 -0.165757D+01  0.637135D+01 -0.997785D-01 -0.123994D+01
      3   0.178030D+02  0.113793D+02 -0.911508D+00  0.610358D+01 -0.229603D+02
      4   0.252817D+01  0.345613D+01 -0.161912D+01  0.387718D+01  0.463489D+01
      5  -0.182226D+01  0.153766D+01  0.211798D+01  0.600723D+01  0.107764D+02
      6   0.527726D+01  0.265431D+01  0.265549D+01  0.809211D+01  0.995036D+01
                26            27            28            29            30 
      1  -0.814365D+01  0.710103D+01  0.196528D+02 -0.121839D+01  0.102835D+01
      2   0.160847D+01 -0.207220D+01 -0.434210D+01  0.575737D+01  0.115002D+01
      3   0.653518D+01 -0.502882D+01 -0.153107D+02 -0.453898D+01 -0.217836D+01
      4   0.349749D+01  0.674622D+01  0.249253D+02  0.956053D+00 -0.235289D+01
      5   0.499825D+01 -0.467021D+01  0.157324D+01 -0.169494D+01  0.610688D+01
      6   0.219642D+01  0.101140D+02  0.399851D+01 -0.122577D+01  0.469328D+01
                31            32            33            34            35 
      1  -0.483558D+00 -0.130813D+01  0.725846D+01 -0.822005D+01  0.945955D+01
      2   0.644839D+01  0.513352D+01 -0.188579D+01  0.215065D+01  0.306192D+01
      3  -0.596483D+01 -0.382539D+01 -0.537267D+01  0.606941D+01 -0.125215D+02
      4   0.169277D+02 -0.905213D-01  0.165630D+01  0.107355D+02  0.536439D+01
      5   0.111123D+02  0.279464D+00  0.159282D+01 -0.149753D+02  0.288379D+01
      6  -0.117220D+01  0.378046D+01  0.608833D+01 -0.120982D+01  0.137713D+01
                36            37            38            39            40 
      1  -0.194438D+02  0.968766D+01 -0.118018D+02  0.223906D+02  0.465070D+01
      2   0.240604D+01 -0.923456D-01  0.109815D+02 -0.117739D+02  0.429930D+01
      3   0.170378D+02 -0.959531D+01  0.820290D+00 -0.106167D+02 -0.894999D+01
      4   0.103325D+01 -0.868601D+01 -0.101924D+01  0.426563D+01  0.156767D+02
      5  -0.330129D+01  0.125499D+02  0.221285D+01 -0.871841D+01 -0.156840D+01
      6  -0.757979D+01 -0.517840D+00 -0.537650D+01  0.475719D+01 -0.427126D+00
                41            42            43            44            45 
      1  -0.109672D+02 -0.689066D+01 -0.192122D+02 -0.482588D+01  0.869507D+01
      2   0.168844D+02 -0.106188D+02  0.177838D+01 -0.293926D+01 -0.100933D+01
      3  -0.591725D+01  0.175094D+02  0.174338D+02  0.776514D+01 -0.768574D+01
      4   0.663387D+01 -0.287850D+01 -0.240332D+01 -0.246961D+01 -0.682145D+01
      5  -0.157228D+01 -0.293667D+01  0.641756D+01 -0.615609D+01  0.894172D+01
      6  -0.635551D+01  0.614686D+01 -0.104127D+02  0.690548D+00  0.909209D+01
                46            47            48            49            50 
      1  -0.733090D+01  0.911318D+01 -0.241516D+02 -0.637117D+01 -0.158267D+02
      2   0.232863D+01 -0.833600D+01  0.780491D+01 -0.526396D+01  0.218723D+02
      3   0.500228D+01 -0.777177D+00  0.163467D+02  0.116351D+02 -0.604562D+01
      4   0.893609D+01  0.558886D+00  0.452942D+01  0.557084D+01 -0.593524D+01
      5  -0.131768D+02  0.524230D+01 -0.324810D+01  0.603762D+01  0.183544D+01
      6   0.404459D+01  0.480322D+01 -0.371873D+01 -0.473730D+00 -0.584665D+01
                51            52            53            54            55 
      1   0.294620D+01  0.368627D+02 -0.391734D+01  0.775714D+01 -0.427826D+02
      2  -0.104279D+02 -0.997411D+01 -0.194180D+00 -0.463313D+01  0.142359D+02
      3   0.748173D+01 -0.268886D+02  0.411152D+01 -0.312401D+01  0.285467D+02
      4   0.106761D+01 -0.309377D+01 -0.904108D+00  0.766346D+01  0.473651D+01
      5   0.654656D+01  0.262334D+01  0.676188D+01 -0.674824D+01 -0.893704D+00
      6   0.407152D+01  0.115253D+02 -0.271195D+01  0.736773D+01  0.155382D+01
                56            57            58            59            60 
      1  -0.831017D+01 -0.243036D+01 -0.384748D+02 -0.274866D+02 -0.335207D+01
      2   0.644449D+01 -0.198185D+01  0.274833D+02  0.247333D+01  0.432918D+01
      3   0.186568D+01  0.441221D+01  0.109915D+02  0.250132D+02 -0.977111D+00
      4  -0.230704D+02  0.372510D+00 -0.491549D+02  0.287851D+02 -0.113978D+02
      5   0.282964D+00 -0.979781D+01 -0.272707D+01 -0.115601D+02  0.152969D+01
      6   0.642486D+00  0.163599D+01 -0.103185D+01  0.444825D+01 -0.636231D-01
                61            62            63            64            65 
      1  -0.283095D+02 -0.644894D+01 -0.599815D+01 -0.424527D+02  0.143988D+02
      2   0.347586D+01  0.642722D+01  0.120277D+02  0.283305D+02 -0.262077D+01
      3   0.248337D+02  0.217226D-01 -0.602955D+01  0.141222D+02 -0.117780D+02
      4  -0.412702D+01 -0.197727D+02  0.770945D+01  0.155902D+02  0.277140D+02
      5  -0.237743D+02  0.520063D+01  0.413544D+02 -0.246053D+01  0.303154D+01
      6   0.376178D+01 -0.201209D+01 -0.667404D+01  0.102514D+01 -0.246256D+01
                66            67            68            69            70 
      1  -0.315526D+01  0.530558D+02  0.474321D+02 -0.532427D+00  0.184089D+02
      2  -0.812366D+00 -0.229009D+02 -0.252397D+02  0.201072D+01 -0.611270D+01
      3   0.396762D+01 -0.301549D+02 -0.221924D+02 -0.147829D+01 -0.122962D+02
      4   0.257519D+01  0.457588D+02 -0.141763D+02  0.141313D+02  0.528895D+01
      5   0.178243D+02  0.664007D+01  0.159334D+02  0.277656D+01  0.360567D+02
      6   0.325730D+01  0.310337D+01  0.457190D+01 -0.637287D+00  0.298764D+01
                71            72            73            74            75 
      1   0.136174D+01  0.333335D+02  0.528431D+02 -0.779689D+01 -0.752772D+01
      2   0.341480D+01 -0.928280D+01 -0.363803D+02 -0.693223D+01 -0.507341D+00
      3  -0.477655D+01 -0.240507D+02 -0.164629D+02  0.147291D+02  0.803506D+01
      4   0.178993D+02  0.532212D+01 -0.466435D+01 -0.291712D+02 -0.863794D+01
      5   0.452345D+01 -0.598142D+02 -0.736302D+01 -0.649405D+01 -0.122690D+02
      6   0.542487D+01 -0.682284D+01 -0.733265D+01 -0.276357D+01 -0.907362D+01
                76            77            78            79            80 
      1  -0.124233D+02 -0.308597D+02  0.236989D+01 -0.119329D+02  0.124186D+01
      2  -0.627389D+01  0.115743D+02 -0.112350D+02 -0.204655D+01 -0.138109D+02
      3   0.186972D+02  0.192854D+02  0.886511D+01  0.139795D+02  0.125690D+02
      4  -0.358775D+02 -0.158741D+02 -0.198585D+02 -0.859391D+01 -0.282575D+02
      5  -0.681255D+01 -0.191045D+02 -0.934730D+01 -0.211035D+02 -0.159900D+02
      6  -0.548544D+01 -0.166503D+02 -0.446136D+01 -0.111074D+02 -0.930115D+01
                81            82            83            84            85 
      1  -0.821918D+01  0.501927D+02 -0.182118D+02 -0.493199D+01 -0.305542D+02
      2   0.822116D+01 -0.272197D+02  0.861082D+01  0.754418D+00  0.145353D+02
      3  -0.198710D-02 -0.229729D+02  0.960098D+01  0.417757D+01  0.160189D+02
      4  -0.207324D+02 -0.214628D+02 -0.397213D+02 -0.639085D+01 -0.607485D+02
      5   0.419622D+02 -0.857413D+01 -0.686412D+01 -0.330024D+02 -0.108105D+02
      6   0.205028D+02 -0.166871D+01 -0.468290D+01 -0.202918D+01 -0.929059D+01
                86            87            88            89            90 
      1  -0.534420D+02 -0.662528D+01 -0.143230D+02 -0.634928D+01 -0.441388D+02
      2   0.262435D+02  0.235999D+01  0.291988D+01  0.225333D+01  0.247148D+02
      3   0.271985D+02  0.426529D+01  0.114031D+02  0.409594D+01  0.194241D+02
      4   0.238006D+02 -0.410853D+02 -0.101231D+02 -0.396934D+02 -0.523015D+01
      5  -0.440689D+02 -0.417849D+01 -0.534611D+02 -0.415827D+01  0.514449D+02
      6   0.292060D+00 -0.458724D+01 -0.359742D+01 -0.532611D+01  0.147100D+01
                91            92            93            94            95 
      1   0.889196D+01 -0.172825D+01 -0.264080D+00 -0.103635D+02 -0.165399D+02
      2  -0.843433D+01 -0.383156D+01 -0.160262D+01  0.570474D+01  0.677903D+01
      3  -0.457631D+00  0.555981D+01  0.186670D+01  0.465878D+01  0.976089D+01
      4  -0.188480D+02 -0.143357D+02 -0.748764D+01 -0.403370D+02  0.163564D+02
      5  -0.548720D+01 -0.686591D+01 -0.795711D+01 -0.129358D+02 -0.113702D+01
      6  -0.471542D+01 -0.231582D+01 -0.484581D+01 -0.230859D+01 -0.492934D+01
                96            97            98            99           100 
      1  -0.629895D+01 -0.144242D+02 -0.872646D+01 -0.112113D+01 -0.462778D+01
      2   0.415636D+00 -0.331028D+00 -0.227920D+01  0.742043D+01  0.194398D+00
      3   0.588332D+01  0.147552D+02  0.110057D+02 -0.629930D+01  0.443338D+01
      4  -0.670388D+00 -0.194538D+02 -0.118520D+02 -0.150782D+02  0.143015D+02
      5  -0.134856D+02 -0.140478D+02 -0.143097D+02  0.316702D+02 -0.162882D+02
      6  -0.248615D+01 -0.771527D+01 -0.267272D+01  0.896601D+01  0.504628D+01
               101           102           103           104           105 
      1   0.580214D+01 -0.771774D+01  0.194919D+02  0.467583D+01  0.104648D+02
      2   0.632456D+00  0.581007D+01 -0.160118D+02  0.363745D+01 -0.356071D+01
      3  -0.643459D+01  0.190767D+01 -0.348005D+01 -0.831328D+01 -0.690411D+01
      4  -0.363722D+01  0.721086D+01  0.747479D+00 -0.185417D+02 -0.112284D+01
      5   0.660814D+01 -0.386220D+01  0.641483D+01 -0.502416D+00  0.281373D+02
      6  -0.531409D+01  0.662609D+01 -0.723286D+00 -0.325013D+01 -0.169448D+02
               106           107           108           109           110 
      1  -0.252333D+02  0.114033D+02 -0.632458D+01  0.448044D+02 -0.133781D+02
      2   0.783944D+01  0.620742D+01  0.450814D+01 -0.213462D+02  0.386227D+01
      3   0.173939D+02 -0.176107D+02  0.181645D+01 -0.234582D+02  0.951584D+01
      4   0.242042D+02 -0.272403D+02  0.218643D+02 -0.253018D+02  0.217366D+02
      5  -0.221921D+02  0.198017D+02 -0.224998D+02  0.326239D+02 -0.609626D+01
      6   0.123000D+02 -0.187788D+02  0.472163D+01 -0.114470D+02  0.414816D+01
               111           112           113           114           115 
      1   0.251010D+02 -0.154138D+02  0.319294D+01 -0.219143D+01  0.417613D+02
      2  -0.151465D+02  0.278454D+01  0.804648D+01 -0.366210D+00 -0.197694D+02
      3  -0.995459D+01  0.126293D+02 -0.112394D+02  0.255764D+01 -0.219919D+02
      4  -0.102567D+02  0.244791D+02 -0.224499D+02  0.170146D+02 -0.264014D+02
      5   0.231503D+02 -0.123678D+02  0.162097D+02 -0.213146D+02  0.372109D+02
      6  -0.757564D+01  0.592276D+01 -0.112018D+02  0.181580D+02 -0.117975D+02
               116           117           118           119           120 
      1  -0.465876D+01  0.112462D+02  0.168198D+00 -0.108486D+02 -0.138815D+02
      2  -0.554735D+01 -0.157879D+02 -0.322599D+01  0.134714D+02  0.868358D+01
      3   0.102061D+02  0.454175D+01  0.305779D+01 -0.262277D+01  0.519790D+01
      4   0.374450D+02 -0.191128D+02  0.557161D+00 -0.777674D+01  0.328625D+01
      5  -0.174365D+02  0.598709D+02 -0.918095D+01 -0.151915D+01  0.609211D+01
      6   0.174348D+02 -0.271256D+02  0.377313D+01  0.546772D+01  0.110423D+01
               121           122           123           124           125 
      1  -0.370605D+01 -0.726631D+01 -0.621791D+01 -0.135006D+02 -0.837268D+01
      2   0.139402D+02 -0.168728D+02  0.192264D+01  0.811357D+01  0.647471D+01
      3  -0.102341D+02  0.241391D+02  0.429527D+01  0.538703D+01  0.189798D+01
      4  -0.130798D+02  0.476363D+02 -0.301318D+01  0.127947D+02 -0.152498D+02
      5   0.197041D+01 -0.245285D+01 -0.554703D+01  0.198456D+02 -0.192017D+02
      6   0.277930D+01  0.241266D+01  0.114268D+02 -0.728380D+01  0.215970D+02
               126           127           128           129           130 
      1  -0.914249D+01 -0.637871D+00 -0.589050D-01  0.386037D+01 -0.272069D+01
      2  -0.725855D+01 -0.528664D+01 -0.122347D+01  0.552887D+01 -0.456484D+00
      3   0.164010D+02  0.592451D+01  0.128238D+01 -0.938924D+01  0.317717D+01
      4  -0.170050D+02  0.104404D+01  0.258443D+01 -0.830498D+00  0.129736D+01
      5  -0.360412D+02 -0.926941D+01 -0.252111D+01  0.121275D+02 -0.284078D+01
      6   0.244518D+02  0.214036D+00 -0.180056D+01 -0.629921D+00 -0.118114D+01
               131           132           133           134           135 
      1  -0.364679D+01  0.799371D+01  0.340283D+01  0.477137D+01 -0.247868D+02
      2  -0.246803D+00  0.313700D+01  0.678132D+01  0.184137D+01 -0.144025D+02
      3   0.389359D+01 -0.111307D+02 -0.101842D+02 -0.661274D+01  0.391893D+02
      4   0.116659D+01 -0.140438D+01 -0.190497D+01 -0.341411D+01  0.193862D+01
      5  -0.266486D+01  0.422338D+01  0.122743D+02  0.389718D+01 -0.190577D+02
      6  -0.297940D+01  0.229641D+01  0.912109D+00  0.606827D+01 -0.251781D+01
               136           137           138           139           140 
      1   0.398257D+01 -0.647413D-01 -0.210925D+01  0.129592D+00 -0.204826D+01
      2  -0.566443D+01  0.940925D+00 -0.414674D+01  0.205622D+01 -0.711138D-01
      3   0.168186D+01 -0.876184D+00  0.625599D+01 -0.218581D+01  0.211937D+01
      4  -0.257566D+01  0.402099D+01 -0.112625D+01  0.251621D+01 -0.301398D+01
      5   0.113047D+02 -0.287322D+01  0.100978D+02 -0.465217D+01  0.325842D+01
      6  -0.308874D+00  0.197158D+01 -0.781945D+00  0.780459D+00 -0.295805D+01
               141           142           143           144           145 
      1   0.507771D+01 -0.335635D+01  0.410891D+01 -0.129227D+02 -0.248226D+01
      2   0.218077D+01 -0.537394D+01  0.839607D+00 -0.840741D+01 -0.299406D+01
      3  -0.725848D+01  0.873028D+01 -0.494852D+01  0.213301D+02  0.547632D+01
      4   0.142431D+01 -0.193700D+01  0.348823D+01 -0.245610D+01  0.549253D+01
      5  -0.577578D+01  0.126024D+02 -0.423016D+01  0.161516D+02 -0.961386D+01
      6   0.220000D+01 -0.165917D+01  0.508519D+01 -0.341147D+01 -0.570945D+01
               146           147           148           149           150 
      1  -0.199301D+01  0.583388D+01 -0.277747D+01 -0.523983D+01  0.927369D+01
      2   0.514718D+00  0.308886D+01 -0.482068D+00  0.140140D+01  0.468814D+00
      3   0.147829D+01 -0.892274D+01  0.325954D+01  0.383842D+01 -0.974250D+01
      4   0.388700D+01 -0.549138D+01  0.243646D+01  0.204005D+01 -0.294522D+01
      5  -0.365600D+01  0.124046D+02 -0.348758D+01 -0.278259D+01  0.433731D+01
      6  -0.374075D+01  0.637689D+01 -0.299425D+01 -0.562704D+01  0.900851D+01
               151           152           153           154           155 
      1   0.755543D+01  0.112634D+02 -0.303852D+02  0.283689D+01  0.298668D+01
      2   0.223511D+01 -0.329001D+01 -0.603287D+01 -0.324626D+01 -0.279490D+01
      3  -0.979055D+01 -0.797341D+01  0.364181D+02  0.409375D+00 -0.191780D+00
      4  -0.616208D+01 -0.548445D+01  0.805232D+01 -0.108561D+02  0.798806D+01
      5   0.116356D+02  0.544436D+01 -0.183207D+02  0.156213D+02 -0.623237D+01
      6   0.843196D+01  0.132632D+02 -0.234934D+02 -0.884501D+01  0.623825D+01
               156           157           158           159           160 
      1  -0.251870D+01  0.372266D+00 -0.413021D+01  0.566952D+01 -0.384407D+01
      2  -0.212766D+01  0.969230D+00  0.244712D+01  0.379521D-01 -0.256866D+01
      3   0.464636D+01 -0.134150D+01  0.168308D+01 -0.570747D+01  0.641274D+01
      4  -0.841418D+01  0.539568D+01 -0.579942D+01  0.592774D+01 -0.893011D+01
      5   0.142105D+02 -0.728879D+01  0.513773D+01 -0.834523D+01  0.154068D+02
      6  -0.902937D+01  0.548998D+01 -0.635717D+01  0.867607D+01 -0.102713D+02
               161           162           163           164           165 
      1   0.857668D+01 -0.161722D+02  0.794135D+01  0.349288D+00 -0.701138D+01
      2  -0.412489D+01 -0.269371D+01 -0.777838D+01 -0.626529D+00  0.641082D+01
      3  -0.445179D+01  0.188659D+02 -0.162966D+00  0.277241D+00  0.600552D+00
      4   0.770299D+01 -0.106048D+02 -0.185776D+01  0.728088D+01  0.402490D+01
      5  -0.777051D+01  0.203935D+02 -0.132578D+02  0.276369D+01  0.151392D+02
      6   0.120453D+02 -0.183042D+02  0.191080D+01 -0.144821D+01 -0.203188D+01
               166           167           168           169           170 
      1   0.856420D+01  0.146604D+01 -0.190803D+01 -0.164582D+02 -0.335271D+01
      2  -0.540948D+01 -0.223356D+00  0.144805D+01  0.142924D+02  0.660759D+00
      3  -0.315472D+01 -0.124269D+01  0.459974D+00  0.216576D+01  0.269195D+01
      4   0.710403D+01 -0.385221D+01 -0.406520D+01  0.592527D+01 -0.961970D+01
      5  -0.120867D+01 -0.439983D+01  0.205903D+01  0.224978D+02 -0.849311D+01
      6  -0.141323D+01  0.117595D+01  0.519435D+01 -0.522714D+01  0.686892D+01
               171           172           173           174           175 
      1  -0.603110D+01  0.218351D+02 -0.841415D+01  0.373806D+01 -0.158973D+02
      2  -0.137045D+02 -0.460881D+01 -0.669041D+00 -0.870893D+00 -0.219723D+01
      3   0.197356D+02 -0.172263D+02  0.908320D+01 -0.286716D+01  0.180946D+02
      4  -0.112627D+02 -0.211542D+02  0.242288D+02 -0.151607D+01  0.354839D+02
      5  -0.452382D+02  0.438456D+01 -0.363781D+00  0.505380D+01 -0.110716D+01
      6   0.120023D+02 -0.106125D+01 -0.249994D+00 -0.125843D+01  0.463700D+00
               176           177           178           179           180 
      1  -0.469064D+00  0.341479D+00  0.205208D+02  0.119384D+01  0.109209D+01
      2   0.216955D+02 -0.251482D+01 -0.624273D+01 -0.469241D+01 -0.242000D+00
      3  -0.212264D+02  0.217334D+01 -0.142781D+02  0.349857D+01 -0.850093D+00
      4  -0.520015D+02  0.593468D+01 -0.988732D+01  0.161366D+02 -0.863480D+01
      5   0.535622D+01 -0.636397D+01  0.857752D+01 -0.751218D+01  0.219597D+01
      6  -0.109745D+01  0.492012D+01 -0.331004D+01  0.543909D+01 -0.226652D+01
               181           182           183           184           185 
      1  -0.201821D+01 -0.292385D+01  0.106673D+02 -0.920417D+01 -0.112158D+02
      2  -0.252751D+01  0.439636D+00 -0.282999D+01  0.404193D+01  0.532566D+01
      3   0.454572D+01  0.248421D+01 -0.783732D+01  0.516224D+01  0.589014D+01
      4  -0.469837D+01 -0.417860D+01  0.956023D-01 -0.277933D+01  0.100410D+01
      5   0.675723D+01 -0.254252D+00 -0.212828D+01  0.969548D+00  0.417489D+01
      6   0.120067D+01  0.121798D+00 -0.147806D+01 -0.499591D+00 -0.225409D-01
               186           187           188           189           190 
      1  -0.231517D-01  0.225778D+02 -0.453796D+00 -0.229902D+02 -0.546215D+02
      2   0.773773D+00 -0.102040D+02  0.142437D+01 -0.901213D+01  0.313371D+02
      3  -0.750622D+00 -0.123738D+02 -0.970571D+00  0.320023D+02  0.232844D+02
      4   0.368922D+01  0.187173D+01  0.728286D+01 -0.203986D+01 -0.168718D+02
      5  -0.882773D+00  0.420974D+00 -0.658772D+00  0.513701D+02  0.332946D+01
      6   0.689103D+01 -0.120624D+00  0.373760D+01  0.639207D+01  0.255036D+01
               191           192           193           194           195 
      1   0.153052D+02  0.253852D+01  0.690685D+01 -0.949528D+01 -0.734606D+00
      2  -0.157767D+02 -0.121086D+01 -0.735144D+01  0.938336D+01  0.162130D+01
      3   0.471478D+00 -0.132766D+01  0.444596D+00  0.111916D+00 -0.886692D+00
      4  -0.534541D+01  0.236447D+01  0.286511D+01  0.223753D+00  0.195551D+01
      5   0.107864D+01 -0.220748D+01 -0.634100D-01  0.232985D+01  0.105729D+01
      6   0.235523D+00 -0.394481D+01  0.656430D+00  0.114238D+01  0.222994D+01
               196           197           198           199           200 
      1   0.415234D+01 -0.261460D+01 -0.507163D+01  0.230467D+01  0.186518D+01
      2  -0.138649D+01  0.325845D+01  0.190476D+01 -0.166221D+01  0.146539D+01
      3  -0.276584D+01 -0.643850D+00  0.316687D+01 -0.642458D+00 -0.333057D+01
      4   0.125733D+01  0.375701D+01  0.237357D+01  0.582353D+01  0.961898D+01
      5   0.171559D+01  0.324408D+01 -0.332302D+01 -0.963846D+01 -0.343501D+01
      6  -0.175769D+01  0.374229D+01 -0.121371D+01 -0.342443D+01 -0.193310D+01
               201           202           203           204           205 
      1  -0.629386D+01 -0.671250D+00 -0.832978D+00  0.262007D+01 -0.124718D+02
      2   0.513845D+01  0.238068D+01  0.238716D+01 -0.260820D+01  0.838334D+01
      3   0.115541D+01 -0.170943D+01 -0.155418D+01 -0.118702D-01  0.408845D+01
      4  -0.516107D+01  0.604902D+01  0.680897D+01 -0.461733D+01 -0.965859D+01
      5   0.139531D+02 -0.273531D+00 -0.494368D+01  0.295117D+01  0.161160D+02
      6   0.526548D+01 -0.144579D+01 -0.287083D+01  0.771942D+01  0.733778D+01
               206           207           208           209           210 
      1   0.639345D+01 -0.720670D+01  0.141909D+02  0.901674D+01  0.539035D+01
      2  -0.639804D+01 -0.822708D+01  0.166274D+01  0.844720D+01  0.115663D+00
      3   0.458659D-02  0.154338D+02 -0.158537D+02 -0.174639D+02 -0.550602D+01
      4  -0.155901D+02  0.170329D+02  0.270064D+02  0.346662D+02  0.871961D+01
      5   0.149393D+02 -0.499206D+02  0.801758D+01  0.622386D+01  0.960385D+01
      6   0.131240D+02 -0.284004D+02  0.511714D+01  0.500707D+01  0.649677D+01
               211           212           213           214           215 
      1   0.100948D+02 -0.255506D+01 -0.735966D+00  0.106116D+02 -0.181795D+01
      2   0.788822D+01  0.311144D+02  0.763704D+01 -0.746682D+00  0.124986D+02
      3  -0.179830D+02 -0.285594D+02 -0.690108D+01 -0.986489D+01 -0.106807D+02
      4   0.343079D+02  0.562896D+02  0.151245D+02  0.169577D+02  0.281318D+02
      5   0.670671D+01  0.135568D+02  0.111244D+02  0.114077D+02  0.140456D+02
      6   0.556552D+01  0.120555D+02  0.103613D+02  0.747979D+01  0.122849D+02
               216           217           218           219           220 
      1   0.114075D+01  0.259771D+02  0.125328D+01 -0.179166D+02  0.389442D+01
      2   0.219151D+01 -0.153161D+02 -0.498922D+00  0.102393D+02 -0.175929D+01
      3  -0.333226D+01 -0.106610D+02 -0.754355D+00  0.767733D+01 -0.213514D+01
      4   0.159114D+02  0.198384D+01  0.862995D+01  0.404657D+00  0.144515D+02
      5   0.913708D+01 -0.187607D+02  0.741598D+00  0.235224D+02 -0.106241D+00
      6   0.808952D+01 -0.299189D+00  0.295455D+00  0.323400D+00 -0.100954D+01
               221           222           223           224           225 
      1   0.976313D+01  0.530664D+00 -0.517280D+02  0.187070D+01  0.288099D+02
      2  -0.487095D+01 -0.511072D+00  0.305769D+02 -0.164389D+01 -0.238049D+02
      3  -0.489217D+01 -0.195927D-01  0.211512D+02 -0.226813D+00 -0.500501D+01
      4  -0.169809D+01 -0.423459D+01  0.180893D-01 -0.125865D+02  0.885619D+00
      5  -0.398863D+01  0.153983D+01  0.437810D+02 -0.607231D-01 -0.707528D+02
      6  -0.587466D+00  0.418662D+01  0.159221D+01  0.443244D+01 -0.206413D+01
               226           227           228           229           230 
      1   0.255503D+02 -0.190585D+02  0.939628D+01 -0.462432D+02  0.295382D+02
      2  -0.121355D+02  0.899207D+01 -0.502904D+01  0.224414D+02 -0.905568D+01
      3  -0.134148D+02  0.100665D+02 -0.436725D+01  0.238018D+02 -0.204825D+02
      4  -0.196181D+02  0.239373D+02 -0.654750D+01  0.414091D+02 -0.643395D+02
      5   0.108781D+02 -0.723673D+01  0.116305D+02 -0.143795D+02  0.228699D+02
      6  -0.229503D+01  0.177132D+01 -0.857700D+00  0.422028D+01 -0.661424D+01
               231           232           233           234           235 
      1  -0.870042D+01  0.211307D+02 -0.740895D+01  0.130510D+02  0.597348D+02
      2   0.535086D+01 -0.116747D+02  0.443847D+01 -0.937866D+01 -0.289687D+02
      3   0.334957D+01 -0.945604D+01  0.297048D+01 -0.367229D+01 -0.307660D+02
      4   0.215524D+02 -0.113040D+02  0.242915D+02 -0.132996D+02  0.319180D+02
      5  -0.199561D+02  0.205781D+02 -0.144364D+02  0.126492D+02  0.237077D+02
      6   0.573287D+01 -0.223996D+01  0.600716D+01 -0.401515D+01  0.491060D+01
               236           237           238           239           240 
      1   0.264051D+02  0.189156D+02  0.593469D+02  0.291012D+02  0.136473D+02
      2  -0.117788D+02 -0.101347D+02 -0.268987D+02 -0.846341D+01 -0.699520D+01
      3  -0.146264D+02 -0.878094D+01 -0.324482D+02 -0.206377D+02 -0.665210D+01
      4   0.279462D+02  0.118011D+02  0.452073D+02  0.409074D+02  0.207396D+02
      5   0.122067D+02  0.205621D+02  0.220301D+02  0.212061D+02  0.214589D+02
      6   0.287666D+01  0.274816D+01  0.658376D+01  0.668753D+01  0.632643D+01
               241           242           243           244           245 
      1   0.382571D+02  0.117613D+02  0.205651D+02  0.785127D+00  0.320776D+01
      2  -0.204567D+02 -0.560478D+01 -0.136447D+02 -0.406644D+01 -0.147204D+01
      3  -0.178005D+02 -0.615648D+01 -0.692038D+01  0.328131D+01 -0.173572D+01
      4   0.190823D+02  0.239364D+02  0.152678D+02  0.602788D+01  0.575440D+01
      5   0.322737D+02  0.157173D+02  0.201570D+02 -0.117325D+02 -0.138601D+01
      6   0.560916D+01  0.638842D+01  0.564210D+01 -0.361725D+01 -0.421624D+00
               246           247           248           249           250 
      1  -0.676844D+01  0.375362D+01  0.325514D+00  0.210047D+01 -0.970451D+01
      2   0.522609D+01 -0.161007D+01  0.230302D+00 -0.456852D+00  0.925419D+01
      3   0.154235D+01 -0.214355D+01 -0.555815D+00 -0.164362D+01  0.450326D+00
      4  -0.233574D+01  0.979725D+01  0.462304D+01 -0.710093D+01 -0.490473D+01
      5   0.122392D+02 -0.208085D+01 -0.717019D+01  0.903745D+01  0.174452D+02
      6   0.221026D+01 -0.163628D+01 -0.385916D+01  0.713731D+01  0.317209D+01
               251           252           253           254           255 
      1   0.255626D+01 -0.587710D+01 -0.844772D+02 -0.144694D+02  0.777215D+01
      2   0.339011D+00 -0.131555D+02  0.422279D+02  0.168258D+02 -0.514595D+01
      3  -0.289527D+01  0.190326D+02  0.422493D+02 -0.235643D+01 -0.262620D+01
      4  -0.116849D+02  0.962728D+01 -0.216248D+02  0.242067D+02  0.794540D+01
      5   0.830422D+01 -0.413712D+02  0.992661D+01  0.461736D+01  0.101081D+02
      6   0.657334D+01 -0.119735D+02  0.850068D+01  0.381837D+01  0.397181D+01
               256           257           258           259           260 
      1   0.904263D+01  0.357437D+02 -0.490929D+00  0.254314D+02 -0.232258D-01
      2   0.302887D+01 -0.363165D+02  0.352694D+00 -0.920440D+01  0.473564D+01
      3  -0.120715D+02  0.572790D+00  0.138235D+00 -0.162270D+02 -0.471241D+01
      4   0.339225D+02 -0.156285D+02  0.109279D+02  0.186611D+02  0.181757D+02
      5   0.100918D+02  0.140600D+02  0.124421D+02  0.150180D+02  0.104654D+02
      6   0.708927D+01  0.473891D+01  0.687093D+01  0.791445D+01  0.720421D+01
               261           262           263           264           265 
      1   0.127120D+02  0.521406D+01 -0.750539D+01 -0.173845D+01 -0.522704D+01
      2   0.611055D+01  0.320607D+01 -0.345987D+01 -0.216917D+00 -0.827426D+01
      3  -0.188225D+02 -0.842013D+01  0.109653D+02  0.195537D+01  0.135013D+02
      4   0.138233D+02 -0.152022D+02  0.223252D+02  0.476120D+01  0.283664D+02
      5  -0.278832D+02 -0.546209D+01  0.602639D+01  0.447511D+01  0.736491D+01
      6  -0.893232D+01  0.363225D+01 -0.430383D+01 -0.180875D+01 -0.580398D+01
               266           267           268           269           270 
      1  -0.117342D+02 -0.353333D+01  0.670645D+00 -0.320306D-01 -0.173550D+01
      2   0.408996D+02  0.560162D+01  0.268509D+01 -0.787701D+01  0.151759D+01
      3  -0.291654D+02 -0.206829D+01 -0.335573D+01  0.790904D+01  0.217908D+00
      4  -0.685934D+02 -0.136627D+02 -0.487892D+01  0.113920D+02 -0.336247D+01
      5  -0.160146D+02 -0.128216D+02  0.194925D+01 -0.314603D+01 -0.317854D+01
      6   0.180368D+02  0.945771D+01 -0.121439D+01  0.401815D+01  0.202759D+01
               271           272           273           274           275 
      1   0.128710D+03  0.147636D+02 -0.382756D+01 -0.219308D+01  0.630646D+01
      2  -0.595884D+02 -0.240151D+01  0.134813D+01  0.409942D+01  0.385042D+00
      3  -0.691217D+02 -0.123621D+02  0.247943D+01 -0.190634D+01 -0.669150D+01
      4   0.508756D+02  0.224800D+02  0.224762D+00  0.130323D+02  0.695794D+01
      5   0.451296D+01  0.155163D+01  0.139352D+02 -0.558927D+00 -0.159298D+01
      6  -0.718803D+00  0.142859D+01  0.448172D+01  0.980596D-01 -0.259128D-01
               276           277           278           279           280 
      1   0.188871D+00 -0.169197D+02 -0.174758D+01  0.895297D+01  0.201525D+00
      2  -0.292308D+00  0.720246D+01 -0.673184D+00 -0.647862D+01  0.277162D+01
      3   0.103437D+00  0.971721D+01  0.242077D+01 -0.247435D+01 -0.297314D+01
      4  -0.174363D+01 -0.826164D+01 -0.581157D+01  0.282050D+01  0.308701D+01
      5  -0.978533D+00  0.133144D+02  0.101209D+01 -0.410061D+00 -0.226372D+01
      6   0.262659D+00  0.370359D+01  0.103164D+01 -0.149113D+00 -0.100623D+01
               281           282           283           284           285 
      1   0.146302D+02 -0.114062D+01  0.123518D+02 -0.330940D+02 -0.302088D+00
      2  -0.160795D+02  0.937133D+00 -0.552096D+01  0.540650D+02 -0.805772D+00
      3   0.144935D+01  0.203490D+00 -0.683081D+01 -0.209710D+02  0.110786D+01
      4  -0.930746D+01 -0.197269D+01  0.993693D+01  0.519501D+02 -0.274670D+00
      5  -0.146541D+00 -0.292295D+01  0.157558D+01 -0.283670D+01  0.640101D+01
      6  -0.147476D+01 -0.260731D+01 -0.138826D+00  0.427727D+01  0.713460D+01
               286           287           288           289           290 
      1  -0.538045D+01  0.222032D+01 -0.549464D+01  0.655937D+01  0.160752D+01
      2   0.167786D+01 -0.568547D+01  0.418161D+01 -0.592011D+01 -0.216376D+01
      3   0.370259D+01  0.346515D+01  0.131303D+01 -0.639258D+00  0.556243D+00
      4  -0.437899D+01 -0.946108D+01  0.335316D+01  0.399100D+00 -0.284652D+01
      5   0.446327D+00  0.450037D+01  0.451497D+00  0.329726D+01 -0.122638D+01
      6  -0.446441D+00  0.647272D+01 -0.546455D+00  0.362082D-01 -0.145468D+01
               291           292           293           294           295 
      1   0.546829D+01 -0.545930D+01 -0.584064D+01 -0.451690D+00  0.124086D+02
      2  -0.218471D+01  0.221782D+01  0.355174D+01  0.290927D+01 -0.742370D+01
      3  -0.328358D+01  0.324148D+01  0.228890D+01 -0.245758D+01 -0.498493D+01
      4   0.142235D-01 -0.335909D+01 -0.244755D+01  0.186028D+01  0.735566D+01
      5   0.482258D+00 -0.251983D+01  0.164766D+01 -0.555017D+01  0.108924D+02
      6  -0.104213D+01 -0.848650D+00  0.327545D-01  0.132842D+01  0.240323D+01
               296           297 
      1  -0.122597D+01 -0.117422D+02
      2   0.367009D+01 -0.132794D+02
      3  -0.244412D+01  0.250216D+02
      4   0.112050D+02  0.125552D+01
      5   0.228172D+01  0.451131D+02
      6   0.519304D+01  0.180941D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.430043D+00      0.109306D+01      0.364606D+01
   y         -0.159800D+00     -0.406172D+00     -0.135484D+01
   z          0.536356D+00      0.136328D+01      0.454741D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.207844D+03      0.307992D+02      0.342688D+02
   yx        -0.140721D+01     -0.208527D+00     -0.232018D+00
   yy         0.130367D+03      0.193184D+02      0.214947D+02
   zx         0.209508D+01      0.310458D+00      0.345431D+00
   zy        -0.718914D+01     -0.106532D+01     -0.118533D+01
   zz         0.140807D+03      0.208655D+02      0.232160D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174982D+03      0.259296D+02      0.288506D+02
   aniso      0.812721D+02      0.120433D+02      0.134000D+02
   xx         0.228113D+03      0.338028D+02      0.376107D+02
   yx        -0.178319D+01     -0.264242D+00     -0.294008D+00
   yy         0.143366D+03      0.212447D+02      0.236379D+02
   zx         0.194472D+01      0.288177D+00      0.320640D+00
   zy        -0.721663D+01     -0.106939D+01     -0.118986D+01
   zz         0.153466D+03      0.227413D+02      0.253031D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.32021683         -0.96335226         -0.91259901
     6          2.33977432         -1.22295411          1.70887299
     6          0.07173694         -0.95437008         -2.26350032
     6         -2.23733456         -1.20512091         -1.02299306
     6         -2.23097746         -1.45983919          1.59553644
     6          0.02267332         -1.47599383          2.93744475
     6          4.76580916         -1.15621688          3.19054485
     6          5.23564299          1.36558847          4.57101207
     6          5.44216639          3.57451282          2.72452467
     6          7.59071658          1.17429369          6.23014667
     6         -4.70651516         -1.24967653         -2.49013009
     6         -4.93038723          1.17806930         -3.99714303
     8         -4.29500257          1.46233727         -6.16284614
     8         -5.89909388          3.07995506         -2.59094645
     1          4.09505832         -0.75829382         -1.91218383
     1          0.11156181         -0.73267518         -4.29708215
     1         -4.00774535         -1.65418122          2.59389264
     1         -0.02046544         -1.68915360          4.97402781
     1          6.36022973         -1.52569771          1.92737702
     1          4.75513293         -2.67594162          4.59135209
     1          3.60516653          1.70971496          5.80021212
     1          3.74018558          3.76844322          1.57967442
     1          7.04055122          3.30398605          1.44166296
     1          5.74021450          5.34941872          3.73292824
     1          9.26873737          0.81481035          5.07861312
     1          7.42535594         -0.36143208          7.59895365
     1          7.91078646          2.92552165          7.27291746
     1         -6.24672022         -1.25619038         -1.12039143
     6         -4.92017840         -3.55945481         -4.21532508
     1         -5.89098949          4.58128176         -3.64334716
     1         -6.73934865         -3.59089511         -5.18440968
     1         -4.73451622         -5.27962374         -3.09782075
     1         -3.44049678         -3.54032301         -5.64439735

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.705798D+00      0.179396D+01      0.598400D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.180979D+03      0.268183D+02      0.298394D+02
   yx         0.666441D+01      0.987564D+00      0.109881D+01
   yy         0.128078D+03      0.189792D+02      0.211172D+02
   zx         0.316571D+02      0.469109D+01      0.521955D+01
   zy         0.167349D+00      0.247985D-01      0.275921D-01
   zz         0.169962D+03      0.251857D+02      0.280229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174982D+03      0.259296D+02      0.288506D+02
   aniso      0.812721D+02      0.120433D+02      0.134000D+02
   xx         0.198478D+03      0.294115D+02      0.327247D+02
   yx         0.686680D+01      0.101755D+01      0.113218D+01
   yy         0.141030D+03      0.208985D+02      0.232527D+02
   zx         0.353194D+02      0.523379D+01      0.582338D+01
   zy         0.191661D+00      0.284013D-01      0.316007D-01
   zz         0.185437D+03      0.274789D+02      0.305744D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 @


 MATERIAL COPIED FROM ONE SCHOLARLY BOOK WITHOUT CREDIT COMPRISES PLAGIARISM.
 MATERIAL COPIED FROM TWO SCHOLARLY BOOKS COMPRISES AN ESSAY.
 MATERIAL COPIED FROM THREE SCHOLARLY BOOKS COMPRISES A DISSERTATION.
 MATERIAL COPIED FROM FOUR SCHOLARLY BOOKS COMPRISES A FIFTH SCHOLARLY BOOK.

                               -- C&EN, 25 FEB 1980
 Job cpu time:       1 days  4 hours 43 minutes 16.6 seconds.
 Elapsed time:       0 days  3 hours 35 minutes 33.9 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep 29 15:29:20 2021.
